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

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ChEBI Name	3β,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one

ChEBI ID	CHEBI:65781

ChEBI 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O3

Net Charge

Average Mass

286.36550

Monoisotopic Mass

286.15689

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

SMILES

Cc1cc2C(=O)C=C3C(C)(C)[C@@H](O)CC[C@]3(C)c2cc1O

Metabolite of Species	Details
Securinega suffruticosa (NCBI:txid544674)	Found in callus (BTO:0001010). See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
10278373	Reaxys Registry Number	Reaxys

Citation	Type	Source
16327202	PubMed citation	Europe PMC

Last Modified

07 November 2013