Phyto4Health

Oridonin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1164920
PubChem: 5321010
IUPAC: (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Standard InChI: InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1
Standard InChI Key: SDHTXBWLVGWJFT-XKCURVIJSA-N
SMILES: C=C1[C@@H]2CC[C@@H]3[C@](C1=O)([C@@H]2O)[C@]1(O)OC[C@@]23[C@@H](O)CCC([C@H]2[C@@H]1O)(C)C

Molecular propeties

AlogP: 0.38
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 4
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 364.19
Topological polar surface area: 107
Number of aromatic rings: 0
Fsp3: 0.85
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantRosa roxburghii

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.