CHEBI:66505 - zhankuic acid C

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ChEBI Name zhankuic acid C
ChEBI ID CHEBI:66505
Definition A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3α,4α,5α,12α stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H42O6
Net Charge 0
Average Mass 486.64020
Monoisotopic Mass 486.29814
InChI InChI=1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18-,19+,20+,21-,26+,28+,29-/m1/s1
InChIKey LVFHKUZOQUATIE-NIQDNRFFSA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O
Metabolite of Species Details
Taiwanofungus camphoratus (NCBI:txid196114) Found in fruit body (BTO:0000487). See: PubMed
Taiwanofungus camphoratus (NCBI:txid196114) Found in fruit body (BTO:0000487). See: PubMed
Taiwanofungus camphoratus (NCBI:txid196114) Found in fruit body (BTO:0000487). Parasitic to the inner heartwood wall of old hollow trunks of Cinnamomum kanehirai, EtOH extract See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing zhankuic acid C (CHEBI:66505) has role antineoplastic agent (CHEBI:35610)
zhankuic acid C (CHEBI:66505) has role metabolite (CHEBI:25212)
zhankuic acid C (CHEBI:66505) is a 11-oxo steroid (CHEBI:47787)
zhankuic acid C (CHEBI:66505) is a 12α-hydroxy steroid (CHEBI:36846)
zhankuic acid C (CHEBI:66505) is a 3α-hydroxy steroid (CHEBI:36835)
zhankuic acid C (CHEBI:66505) is a 7-oxo steroid (CHEBI:47789)
zhankuic acid C (CHEBI:66505) is a monocarboxylic acid (CHEBI:25384)
zhankuic acid C (CHEBI:66505) is a secondary α-hydroxy ketone (CHEBI:2468)
zhankuic acid C (CHEBI:66505) is a steroid acid (CHEBI:47891)
IUPAC Name
(3α,4α,5α,12α)-3,12-dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid
Synonym Source
3α,12α-dihydroxy-4α-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid ChEBI
Registry Number Type Source
9827877 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15095145 PubMed citation Europe PMC
21028898 PubMed citation Europe PMC
8594142 PubMed citation Europe PMC
Last Modified
06 February 2018