3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781)

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CHEBI:65781 - 3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one

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ChEBI ID	CHEBI:65781
ChEBI Name	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
Stars
ASCII Name	3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
Definition	A diterpenoid that is podocarpa-5,8,11,13-tetraen-7-one substituted by hydroxy groups at positions 3 and 12 and a methyl group at position 13 (the 3β stereoisomer). Isolated from Securinega suffruticosa, it exhibits antineoplastic activity.
Last Modified	7 November 2013
Downloads	Molfile

Formula	C18H22O3
Net Charge	0
Average Mass	286.371
Monoisotopic Mass	286.15689
SMILES	Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)C1=CC2=O
InChI	InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3/t16-,18+/m0/s1
InChIKey	XKTPGZPMUGPQQP-FUHWJXTLSA-N

Species of Metabolite	Component	Source	Comments
Securinega suffruticosa (ncbitaxon:544674)	callus (BTO:0001010)	PubMed (16327202)

Roles Classification

Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) has role antineoplastic agent (CHEBI:35610)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) has role metabolite (CHEBI:25212)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a aromatic ketone (CHEBI:76224)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a carbotricyclic compound (CHEBI:38032)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a diterpenoid (CHEBI:23849)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a enone (CHEBI:51689)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a phenols (CHEBI:33853)
	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one (CHEBI:65781) is a secondary alcohol (CHEBI:35681)

IUPAC Name
(3β)-3,12-dihydroxy-13-methylpodocarpa-5,8,11,13-tetraen-7-one

Manual Xrefs	Databases
9869621	ChemSpider

Registry Numbers	Sources
Reaxys:10278373	Reaxys

Citations