Phyto4Health

(3Beta,18Beta,20Beta)-3-Hydroxyoleana-9(11),12-Dien-29-Oic Acid

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2334574
PubChem: 25566774
IUPAC: (2S,4aS,6aR,6bS,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid
Standard InChI: InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,26+,27-,28-,29+,30+/m0/s1
Standard InChI Key: DPWVNICGMWYCAP-KVIBWAOPSA-N
SMILES: OC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC=C3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C

Molecular propeties

AlogP: 7.15
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 5
Molecular Weight: 454.34
Topological polar surface area: 57.5
Number of aromatic rings: 0
Fsp3: 0.833
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.