Phyto4Health

Nobilin

Representations & DB's id

ChEBI: CHEBI:7603
ChEMBL: CHEMBL2380798
PubChem: 11953937
IUPAC: [(3aR,4S,6E,9S,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10-/t15-,16-,17+,18+/m0/s1
Standard InChI Key: QFINJHBXXJQKPB-YVRWQVCISA-N
SMILES: C/C=C(C(=O)O[C@H]1C/C(=C/C[C@@H](/C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C)/C

Molecular propeties

AlogP: 3.01
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 2
Molecular Weight: 346.18
Topological polar surface area: 72.8
Number of aromatic rings: 0
Fsp3: 0.5
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantChamaemelum nobile
PlantChamaemelum nobile

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.