Phyto4Health

Epihippuristanol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL458245
PubChem: 330750
IUPAC: (1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol
Standard InChI: InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28-/m0/s1
Standard InChI Key: HPHXKNOXVBFETI-FELJEYOCSA-N
SMILES: O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1C[C@H]1[C@@H]2[C@@](C)(O)[C@]2(O1)C[C@@H](C(O2)(C)C)C)C)C

Molecular propeties

AlogP: 4.27
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 3
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 462.33
Topological polar surface area: 79.2
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantArctostaphylos uva-ursi

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.