Isovouacapenol D

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL491793
PubChem:	10905866
IUPAC:	[(4aR,5R,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
Standard InChI:	InChI=1S/C27H30O4/c1-17-19-11-14-30-22(19)16-21-20(17)15-23(31-24(28)18-9-6-5-7-10-18)27(29)25(2,3)12-8-13-26(21,27)4/h5-7,9-11,14,16,23,29H,8,12-13,15H2,1-4H3/t23-,26-,27-/m1/s1
Standard InChI Key:	IEHCQOHUOBIHHN-XSBVVTFOSA-N
SMILES:	O=C(c1ccccc1)O[C@@H]1Cc2c(C)c3ccoc3cc2[C@@]2([C@]1(O)C(C)(C)CCC2)C

Molecular propeties
AlogP:	5.72
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	1
Rotatable bonds:	2
Number of rings:	5
Molecular Weight:	418.21
Topological polar surface area:	59.7
Number of aromatic rings:	3
Fsp3:	0.444
Number of carbons:	27

Plant sources

Part of plant	Plant name	Ref.
Plant	Valeriana officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.