Phyto4Health

Ferrugicadinol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL465221
PubChem: 11562492
IUPAC: (4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Standard InChI: InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1
Standard InChI Key: ZBJRPMGEEOSMIM-IKCQQGRZSA-N
SMILES: CC([C@@H]1CC[C@@]([C@H]2[C@H]1C=C(CC2)C[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(c2c1cc(C(C)C)c(c2)O)C)(C)O)C

Molecular propeties

AlogP: 9.25
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 4
Number of rings: 5
Molecular Weight: 506.41
Topological polar surface area: 40.5
Number of aromatic rings: 1
Fsp3: 0.771
Number of carbons: 35

Plant sources

Part of plant Plant name Ref.
PlantOnonis spinosa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.