Phyto4Health

Ganoderal A

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL463972
PubChem: 13934282
IUPAC: (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal
Standard InChI: InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1
Standard InChI Key: RHNFCIPJKSUUES-SPFFTVLFSA-N
SMILES: O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)/C

Molecular propeties

AlogP: 7.64
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 5
Number of rings: 4
Molecular Weight: 436.33
Topological polar surface area: 34.1
Number of aromatic rings: 0
Fsp3: 0.733
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantPrunus cerasus
PlantPimpinella anisum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.