Phyto4Health

Ergosterol

Representations & DB's id

ChEBI: CHEBI:16933
ChEMBL: CHEMBL1232562
PubChem: 444679
IUPAC: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Standard InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N
SMILES: O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C

Molecular propeties

AlogP: 7.33
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 396.34
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.786
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantCannabis sativa
PlantRhodiola rosea
StrobilusHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309