loading...| Preferred Name |
zhankuic acid C |
| Synonyms |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid (3alpha,4alpha,5alpha,12alpha)-3,12-dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid |
| Definitions |
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 3alpha,4alpha,5alpha,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_66505 |
| charge |
0 |
| database_cross_reference |
PMID:21028898 PMID:8594142 PMID:15095145 Reaxys:9827877 |
| 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 3alpha,4alpha,5alpha,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity. |
| formula |
C29H42O6 |
| has role | |
| has_exact_synonym |
(3alpha,4alpha,5alpha,12alpha)-3,12-dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid |
| id |
CHEBI:66505 |
| in_subset | |
| 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 |
| label |
zhankuic acid C |
| mass |
486.64020 |
| monoisotopicmass |
486.29814 |
| notation |
CHEBI:66505 |
| prefLabel |
zhankuic acid C |
| 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 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_47787 http://purl.obolibrary.org/obo/CHEBI_47789 http://purl.obolibrary.org/obo/CHEBI_2468 http://purl.obolibrary.org/obo/CHEBI_36846 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_47787 http://purl.obolibrary.org/obo/CHEBI_47789 http://purl.obolibrary.org/obo/CHEBI_2468 http://purl.obolibrary.org/obo/CHEBI_36846 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C098428 | Medical Subject Headings / 医学主题词表 | LOOM |