Phyto4Health

5,8-Epidioxyergosta-6,9(11),22-trien-3-ol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL449356
PubChem: 11112737
IUPAC: (1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
Standard InChI: InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1
Standard InChI Key: FWPYIYVSYQRISA-LEOBWYFPSA-N
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1(C2=CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C

Molecular propeties

AlogP: 6.39
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 6
Molecular Weight: 426.31
Topological polar surface area: 38.7
Number of aromatic rings: 0
Fsp3: 0.786
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantEucalyptus maideni

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.