Phyto4Health

Isovouacapenol C

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL522805
PubChem: 3009285
IUPAC: [(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
Standard InChI: InChI=1S/C27H34O5/c1-16-18-11-14-31-20(18)15-19-21(16)22(28)23(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)12-8-13-26(19,27)4/h5-7,9-11,14,16,19,21-23,28,30H,8,12-13,15H2,1-4H3/t16-,19-,21-,22+,23+,26+,27+/m0/s1
Standard InChI Key: YMUSGWGTHSRGHT-WVTZLOSNSA-N
SMILES: O=C(c1ccccc1)O[C@@H]1[C@H](O)[C@H]2[C@@H](C)c3ccoc3C[C@@H]2[C@@]2([C@]1(O)C(C)(C)CCC2)C

Molecular propeties

AlogP: 4.72
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 5
Molecular Weight: 438.24
Topological polar surface area: 79.9
Number of aromatic rings: 2
Fsp3: 0.593
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantValeriana officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.