Porilactone A (CHEBI:206805)

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CHEBI:206805 - Porilactone A

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ChEBI ID	CHEBI:206805
ChEBI Name	Porilactone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O3
Net Charge	0
Average Mass	452.679
Monoisotopic Mass	452.32905
SMILES	CC(C)=C[C@H]1C[C@H]([C@H]2CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)C(=O)O1
InChI	InChI=1S/C30H44O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16,19-21,24-25,31H,9-10,12-15,17H2,1-7H3/t19-,20+,21+,24-,25-,28+,29+,30-/m0/s1
InChIKey	XPCXNKAMKIVLJC-UIJOFUQVSA-N

Species of Metabolite	Component	Source	Comments
Wolfiporia cocos (ncbitaxon:81056)	-	PubMed (31180673)

ChEBI Ontology

Outgoing Relation(s)
	Porilactone A (CHEBI:206805) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3R,5R)-3-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one