Phyto4Health

2beta,6beta,16alpha,17-Tetrahydroxy-entkaurane

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL257595
PubChem: 24800717
IUPAC: (1R,3R,4R,7R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,14-triol
Standard InChI: InChI=1S/C20H34O4/c1-17(2)7-13(22)8-18(3)15-5-4-12-6-19(15,9-14(23)16(17)18)10-20(12,24)11-21/h12-16,21-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,18+,19-,20+/m1/s1
Standard InChI Key: KNCLQQIOJPEOIX-NHIWDXHTSA-N
SMILES: OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H]([C@@H](C2)O)C(C)(C)C[C@H](C1)O)C

Molecular propeties

AlogP: 2.08
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 4
Rotatable bonds: 1
Number of rings: 4
Molecular Weight: 338.25
Topological polar surface area: 80.9
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantAconitum karakolicum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.