(Q105004001)

English

2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[(4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid

1 reference

based on heuristic

inferred from SMILES

mass

252.172544628 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(2S,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

2-[(2R,4aR,8R,8aS)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₄O₃

0 references

canonical SMILES

O=C(O)C(=C)C1CCC2(C)CCCC(O)(C)C2C1

0 references

isomeric SMILES

C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1

0 references

found in taxon

Ambrosia ilicifolia

1 reference

stated in

Constituents of Ambrosia ilicifolia (Gray) Payne1,2

Dittrichia graveolens

3 references

stated in

New eudesmane derivatives and other sesquiterpenes from the epigeal parts of Dittrichia graveolens

stated in

Ichthyotoxic sesquiterpenes and xanthanolides from Dittrichia graveolens

stated in

A eudesmanolide and other constituents fromInula graveolens

Laggera alata

1 reference

stated in

Eudesmane derivatives and other sesquiterpenes from Laggera alata

Ophryosporus floribundus

1 reference

stated in

Seco-labdanes and other constituents fromOphryosporus floribundus

Artemisia scotina

1 reference

stated in

Vachanic acid from Artemisia scotina

Heterocoma ekmaniana

1 reference

stated in

Epi-Ililic acid from Alcantara Ekmaniana

Artemisia vachanica

1 reference

stated in

Structure of the sesquiterpene hydroxyacid fromArtemisia vachanica Krasch

Aster himalaicus

1 reference

stated in

Eudesmane sesquiterpenes and other constituents from Aster himalaicus

Flourensia oolepis

1 reference

stated in

Sesquiterpenoids and flavonoids from Flourensia oolepis

Ambrosia salsola

1 reference

stated in

Sesquiterpene lactones of Hymenoclea monogyra

Chiliadenus montanus

1 reference

stated in

Sesqui- and monoterpenes from Jasonia montana

Laggera crispata

2 references

stated in

Eudesmane derivatives from Laggera pterodonta

stated in

Eudesmane sesquiterpenes from Laggera pterodonta

Laggera pterodonta

2 references

stated in

Eudesmane derivatives from Laggera pterodonta

stated in

Eudesmane sesquiterpenes from Laggera pterodonta

Pluchea sagittalis

1 reference

stated in

Eudesmane sesquiterpenoids from Pluchea quitoc

Tessaria absinthioides

1 reference

stated in

Sesquiterpenes from Tessaria absinthioides

Artemisia phaeolepis

1 reference

stated in

A New Eudesmenoic Acid from Artemisia phaeolepis

Iva frutescens

1 reference

stated in

Eudesmane derivatives from Iva frutescens

Iva axillaris

1 reference

stated in

Germination and Growth Inhibitory Sesquiterpenes from Iva axillaris Seeds

Artemisia tournefortiana

1 reference

stated in

Eudesmane derivatives and highly oxygenated monoterpenes from Iranian Artemisia species

Artemisia biennis

1 reference

stated in

Eudesmane derivatives and highly oxygenated monoterpenes from Iranian Artemisia species

Dittrichia viscosa

1 reference

stated in

9-Hydroxynerolidol Esters and Bicyclic Sesquiterpenoids from Dittrichia viscosa

Identifiers

InChI

InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1

0 references

InChIKey

FXKCXGBBUBCRPU-QHSBEEBCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FXKCXGBBUBCRPU-QHSBEEBCSA-N

ChEBI ID

181639

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1

(Q105004001)

2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

Statements

Identifiers

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