CHEBI:66768 - Polacandrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Polacandrin
ChEBI ID CHEBI:66768
Definition A natural product found in Polanisia dodecandra.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H52O5
Net Charge 0
Average Mass 492.73090
Monoisotopic Mass 492.38147
InChI InChI=1S/C30H52O5/c1-25(2)19-10-13-27(5)20(30(19,8)22(33)16-21(25)32)15-18(31)24-17(9-12-28(24,27)6)29(7)14-11-23(35-29)26(3,4)34/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20-,21+,22+,23-,24-,27+,28+,29-,30-/m0/s1
InChIKey ZDMWPLUKUXQVLI-QXTFULOPSA-N
SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)[C@H](O)C[C@@H](O)[C@]12C)[C@]1(C)CC[C@H](O1)C(C)(C)O
Metabolite of Species Details
Polanisia dodecandra (NCBI:txid72660) Found in whole plant (BTO:0001461). 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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Polacandrin (CHEBI:66768) has role metabolite (CHEBI:25212)
Polacandrin (CHEBI:66768) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
1beta,3alpha,12beta,25-Tetrahydroxy-20(S),24(S)-epoxydammarane ChEBI
Citation Waiting for Citations Type Source
1453183 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); HP:dammarane(CHEBI:36488); ISA:3alpha-hydroxy steroid(CHEBI:36835); ISA:12-hydroxy steroid(CHEBI:36845); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698);