(17R)-12beta-Hydroxy-16beta,17-epoxypregna-4,6-diene-3,20-dione

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL219399
PubChem:	16104853
IUPAC:	(1R,2S,4S,6R,7R,8R,10S,11R)-6-acetyl-8-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-15,17-dien-14-one
Standard InChI:	InChI=1S/C21H26O4/c1-11(22)21-18(25-21)10-16-14-5-4-12-8-13(23)6-7-19(12,2)15(14)9-17(24)20(16,21)3/h4-5,8,14-18,24H,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m1/s1
Standard InChI Key:	UEKBPJOUDFFTMZ-BFOQGOHBSA-N
SMILES:	O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@H]1C[C@H]1[C@@]2(O1)C(=O)C)C)C

Molecular propeties
AlogP:	2.6
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	1
Number of rings:	5
Molecular Weight:	342.18
Topological polar surface area:	66.9
Number of aromatic rings:	0
Fsp3:	0.714
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Malva sylvestris
Plant	Nerium oleander

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.