loading...| Preferred Name | asiatic acid | |
| Synonyms |
(2alpha,3beta)-2,3,23-trihydroxyurs-12-en-28-oic acid Asiatic acid |
|
| Definitions |
A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2873 |
|
| alternative label |
(2alpha,3beta)-2,3,23-trihydroxyurs-12-en-28-oic acid Asiatic acid |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C08617 PMID:21288041 PMID:23102509 PMID:21561086 Patent:JP2012092110 PMID:21265555 CAS:464-92-6 KNApSAcK:C00003739 PDBeChem:0AS Patent:TW200938215 Reaxys:2712715 |
|
| definition |
A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity. |
|
| formula |
C30H48O5 |
|
| has parent hydride | ||
| has role | ||
| has_alternative_id |
CHEBI:68382 |
|
| has_exact_synonym |
(2alpha,3beta)-2,3,23-trihydroxyurs-12-en-28-oic acid Asiatic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_RxCUI |
1551574 |
|
| id |
CHEBI:2873 |
|
| in_subset | ||
| inchi |
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
|
| inchikey |
JXSVIVRDWWRQRT-UYDOISQJSA-N |
|
| label |
asiatic acid |
|
| mass |
488.69910 |
|
| monoisotopicmass |
488.35017 |
|
| notation |
CHEBI:2873 |
|
| prefLabel |
asiatic acid |
|
| smiles |
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25872 |