Phyto4Health

(23E)-Dammara-20,23-Dien-3Beta,25-Diol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL39909
PubChem: 44285137
IUPAC: (3S,5R,8R,9R,10R,13R,14R,17S)-17-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C30H50O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-25,31-32H,1,10-15,17-19H2,2-8H3/b16-9+/t21-,22-,23+,24-,25+,28+,29-,30-/m1/s1
Standard InChI Key: HSBKLMIYIQJQRR-IHSJTJJSSA-N
SMILES: C=C([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C/C=C/C(O)(C)C

Molecular propeties

AlogP: 7.31
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 442.38
Topological polar surface area: 40.5
Number of aromatic rings: 0
Fsp3: 0.867
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantBrassica nigra

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.