Tsangibeilin B

Representations & DB's id
ChEBI:	CHEBI:69314
ChEMBL:	CHEMBL1821986
PubChem:	54671629
IUPAC:	(1S,2S,3R,6R,7R,10S,11S,12S)-2-(1,3-benzodioxol-5-ylmethyl)tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylic acid
Standard InChI:	InChI=1S/C22H22O4/c23-22(24)15-3-2-12-9-17-16(14-5-4-13(15)20(12)21(14)17)7-11-1-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,20-21H,7,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,17+,20-,21-/m1/s1
Standard InChI Key:	DXINWPCQBUXMER-STJBOKOVSA-N
SMILES:	OC(=O)[C@@H]1C=C[C@H]2[C@@H]3[C@H]1C=C[C@H]1[C@@H]3[C@@H](C2)[C@@H]1Cc1ccc2c(c1)OCO2

Molecular propeties
AlogP:	3.53
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	1
Rotatable bonds:	3
Number of rings:	6
Molecular Weight:	350.15
Topological polar surface area:	55.8
Number of aromatic rings:	1
Fsp3:	0.5
Number of carbons:	22

Plant sources

Part of plant	Plant name	Ref.
Plant	Malva rotundifolia

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.