Phyto4Health

(20S)-20,28-Epoxytaraxastera-21-ene-3beta-ol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL524438
PubChem: 16083125
IUPAC: (1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-23-en-10-ol
Standard InChI: InChI=1S/C30H48O2/c1-19-24-20-8-9-22-26(4)12-11-23(31)25(2,3)21(26)10-13-28(22,6)27(20,5)14-16-30(24)17-15-29(19,7)32-18-30/h15,17,19-24,31H,8-14,16,18H2,1-7H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29-,30-/m0/s1
Standard InChI Key: DNRPRCNFCIXWMI-RWENRCFFSA-N
SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]13[C@@H]2[C@H](C)[C@@](C)(OC1)C=C3)C)C

Molecular propeties

AlogP: 7.01
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 7
Molecular Weight: 440.37
Topological polar surface area: 29.5
Number of aromatic rings: 0
Fsp3: 0.933
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantNerium oleander

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.