(Q27136312)

Ent-Spathulenol (English)

(1aS,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

( )-11-Epispathulenol

2 references

inferred from InChIKey

(1aS,4aS,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

2 references

inferred from InChIKey

(1aS,4aR,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1 reference

(1aS,4aS,7S,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1 reference

1 reference

(1aR,4aS,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1 reference

(1aS,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1 reference

(1aR,4aR,7S,7aS,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1 reference

chemical formula

C₁₅H₂₄O

1 reference

Ent-Spathulenol (English)

18 November 2016

canonical SMILES

CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C

1 reference

Ent-Spathulenol (English)

18 November 2016

isomeric SMILES

C[C@]1(CC[C@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CCC2=C)O

1 reference

Sesquiterpene constituents of the liverwort Bazzania trilobata

Ent-Spathulenol (English)

18 November 2016

1 reference

Calypogeia muelleriana

1 reference

Sesquiterpene constituents of the liverwort Calypogeia muelleriana

Cunila microcephala

1 reference

The essential oil composition of Cunila microcephala and Cunila fasciculata

Cunila fasciculata

1 reference

The essential oil composition of Cunila microcephala and Cunila fasciculata

Anastrophyllum auritum

1 reference

Sphenolobane and fusicoccane diterpenoids from the liverwort Anastrophyllum auritum

Archilejeunea olivacea

1 reference

Volatile components of the liverworts Archilejeunea olivacea, cheilolejeunea imbricata and Leptolejeunea elliptica

Neoorthocaulis floerkei

3 references

Terpenoids and aromatic compounds from six liverworts

Sesqui- and diterpenoids from Ptilidium ciliare and Barbilophozia species (liverworts)

Barbilophozia hatcheri

1 reference

Bazzania tridens

1 reference

Oxygenated sesquitterpenes from the liverwort Bazzania tridens

Bryopteris filicina

1 reference

Sesqui- and diterpenoids from the panamanian liverwort Bryopteris filicina

Lophocolea subporosa

2 references

New sesquiterpenoids from the New Zealand liverwort Chiloscyphus subporosus

New Sesquiterpenoids from the New Zealand Liverwort Chiloscyphus subporosus

Conocephalum japonicum

1 reference

Sesqui- and triterpenoids of the liverwort Conocephalum japonicum

Diplophyllum serrulatum

1 reference

Drimane-type sesquiterpenoids from the liverwort Diplophyllum serrulatum

Jackiella javanica

2 references

Terpenoids from the Japanese liverworts Jackiella javanica and Jungermannia infusca

ent-Verticillane-type diterpenoids from the Japanese liverwort Jackiella javanica

Syzygiella tasmanica

1 reference

Terpenoid constituents of the new zealand liverwort Jamesoniella tasmanica

Plagiochila cristata

1 reference

Plagiochilines and other sesquiterpenoids from Plagiochila (Hepaticae)

Plagiochila ericicola

1 reference

Plagiochilines and other sesquiterpenoids from Plagiochila (Hepaticae)

Plagiochila fasciculata

1 reference

Terpenoids and Aromatic Compounds from the New Zealand Liverworts Plagiochila, Schistochila, and Heteroscyphus Species.

Plagiochila ovalifolia

1 reference

Sesqui- and diterpenoids from Plagiochila species

Plagiochila porelloides

1 reference

Sesquiterpene esters from the liverwort Plagiochila porelloides

Plagiochila trabeculata

1 reference

Gymnomitrane-type sesquiterpenoids from the liverwort Plagiochila trabeculata

Pleurozia gigantea

1 reference

Fusicoccane-, dolabellane- and rearranged labdane-type diterpenoids from the liverwort Pleurozia gigantea

Scapania crassiretis

1 reference

Sesquiterpenoids from some european liverworts

Scapania nemorea

2 references

Sesqui- and diterpenoids from two Japanese and three European liverworts

Sesquiterpenoids from some european liverworts

Scapania uliginosa

1 reference

Terpenoids from some German and Russian liverworts

Tetralophozia setiformis

2 references

Setiformenol, isolated from the liverwort tetralophozia setiformis, the first example of cembrane-type diterpene from bryophytes

Trilophozia quinquedentata

2 references

(−)-7-epi-Isojunenol and ( )-7-epi-junenol, constituents of the liverwort Tritomaria quinquedentata

Tritomaria quinquedentata

2 references

(−)-7-epi-Isojunenol and ( )-7-epi-junenol, constituents of the liverwort Tritomaria quinquedentata

Tussilago farfara

2 references

Structures of new sesquiterpenoids from Farfarae Flos

Structures of New Oplopane-Type Sesquiterpenoids from the Flower Buds of Tussilago farfara L.

Porella chilensis

1 reference

Bioactive sesqui- and diterpenoids from the Argentine liverwort Porella chilensis

Sanicula lamelligera

1 reference

Sesquiterpene and norsesquiterpene derivatives from Sanicula lamelligera and their biological evaluation

Ageratum fastigiatum

1 reference

A daucanolide further farnesene derivatives from Ageratum fastigiatum☆

Lophocolea heterophylla

1 reference

Homomono- and sesquiterpenoids from the liverwort Lophocolea heterophylla

Pallenis spinosa

1 reference

Sesquiterpenoids from Pallenis spinosa

Plagiochila parvifolia

1 reference

Three ent-secoaromadendrane-type sesquiterpene hemiacetals and a bicyclogermacrene from Plagiochila ovalifolia and Plagiochila yokogurensis

Plagiochila yokogurensis

1 reference

Three ent-secoaromadendrane-type sesquiterpene hemiacetals and a bicyclogermacrene from Plagiochila ovalifolia and Plagiochila yokogurensis

Trichocoleopsis sacculata

1 reference

Aromatic esters and terpenoids of the liverworts in the genera Trichocolea, Neotrichocolea and Trichocoleopsis

Valeriana officinalis

1 reference

Pacifigorgianes and tamariscene as constituents of Frullania tamarisci and Valeriana officinalis

Zanthoxylum tetraspermum

1 reference

Antimicrobial alkaloids from Zanthoxylum tetraspermum and caudatum

Ligusticum chuanxiong

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Conioselinum anthriscoides

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Ligusticum striatum

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Plagiochila asplenioides

1 reference

Sesquiterpenoids from some european liverworts

Oreocome striata

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Melaleuca ericifolia

1 reference

Chemical and biological evaluation of the essential oils of different Melaleuca species.

Melaleuca leucadendra

1 reference

Chemical and biological evaluation of the essential oils of different Melaleuca species.

Melaleuca armillaris

1 reference

Chemical and biological evaluation of the essential oils of different Melaleuca species.

Melaleuca styphelioides

1 reference

Chemical and biological evaluation of the essential oils of different Melaleuca species.

Identifiers

InChI

InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11 ,12 ,13 ,15-/m1/s1

1 reference

Ent-Spathulenol (English)

18 November 2016

2 references

Ent-Spathulenol (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

77171-55-2

1 reference

Global Substance Registration System

UNII

TZZ5I978VX

(-)-spathulenol (English)

18 November 2016

1 reference

(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol (English)

18 November 2016

2 references

Ent-Spathulenol (English)

18 November 2016

ChEBI ID

67836

mapping relation type

2 references

CHEMBL1774433 (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11 ,12 ,13 ,15-/m1/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1774433 (English)

18 November 2016

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

TZZ5I978VX

(-)-spathulenol (English)

18 November 2016