(20S,28S)-28-Methoxy-20,28-epoxytaraxasterane-3beta-ol

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL500910
PubChem:	16083124
IUPAC:	(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S,22S)-22-methoxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
Standard InChI:	InChI=1S/C31H52O3/c1-19-24-20-9-10-22-27(4)13-12-23(32)26(2,3)21(27)11-14-29(22,6)28(20,5)15-17-31(24)18-16-30(19,7)34-25(31)33-8/h19-25,32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,27-,28+,29+,30-,31+/m0/s1
Standard InChI Key:	KODHIHGBCAPDKG-GCWNOTCBSA-N
SMILES:	CO[C@H]1O[C@@]2(C)CC[C@]31CC[C@@]1([C@@H]([C@H]3[C@@H]2C)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C

Molecular propeties
AlogP:	7.21
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	1
Rotatable bonds:	1
Number of rings:	7
Molecular Weight:	472.39
Topological polar surface area:	38.7
Number of aromatic rings:	0
Fsp3:	1
Number of carbons:	31

Plant sources

Part of plant	Plant name	Ref.
Plant	Nerium oleander

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.