Ptilomycalin A

Ptilomycalin A
Identifiers
CAS Number	124512-47-6 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL1077545;
ChemSpider	24665108;
PubChem CID	46882529;
	InChI InChI=1S/C45H82N6O5.ClH/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46;/h36-39,41H,3-35,46-47H2,1-2H3,(H,48,49);1H/t36-,37 ,38 ,39-,41-,44 ,45-;/m1./s1 Key: GDECEASHMSFVQR-GYZMTDKTSA-N;
	SMILES CC[C@H]1CCCC[C@]2(O1)C[C@@H]3CC[C@H]4[N ]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCC[C@H](O5)C.[Cl-];
Properties
Chemical formula	C45H83ClN6O5
Molar mass	823.65 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Ptilomycalin A is an antifungal alkaloid isolated from a marine sponge.^[2]

Notes

^ Bycroft, Barrie W.; Payne, David J. (9 August 2013). Dictionary of Antibiotics and Related Substances: with CD-ROM, Second Edition. CRC Press. p. 1460. ISBN 978-1-4822-8215-3.
^ Dalisay DS, Saludes JP, Molinski TF (2011). "Ptilomycalin A inhibits laccase and melanization in Cryptococcus neoformans". Bioorg Med Chem. 19 (22): 6654–7. doi:10.1016/j.bmc.2011.05.041. PMC 3523195. PMID 21715177.6654-7&rft.date=2011&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3523195#id-name=PMC&rft_id=info:pmid/21715177&rft_id=info:doi/10.1016/j.bmc.2011.05.041&rft.aulast=Dalisay&rft.aufirst=DS&rft.au=Saludes, JP&rft.au=Molinski, TF&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3523195&rfr_id=info:sid/en.wikipedia.org:Ptilomycalin A" class="Z3988">

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Identifiers

CAS Number	124512-47-6^N^[1]
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1077545
ChemSpider	24665108
PubChem CID	46882529
InChI InChI=1S/C45H82N6O5.ClH/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46;/h36-39,41H,3-35,46-47H2,1-2H3,(H,48,49);1H/t36-,37 ,38 ,39-,41-,44 ,45-;/m1./s1 Key: GDECEASHMSFVQR-GYZMTDKTSA-N
SMILES CC[C@H]1CCCC[C@]2(O1)C[C@@H]3CC[C@H]4[N ]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCC[C@H](O5)C.[Cl-]
Properties
Chemical formula	C₄₅H₈₃ClN₆O₅
Molar mass	823.65 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references