Phyto4Health

Eucalyptin A

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2171206
PubChem: 70678116
IUPAC: 3-[[(1aR,4R,4aR,7R,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
Standard InChI: InChI=1S/C28H40O6/c1-14(2)11-19(30)20-24(32)15(23(31)16(13-29)25(20)33)12-27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h13-14,17-18,21-22,31-34H,7-12H2,1-6H3/t17-,18-,21-,22-,27-,28-/m1/s1
Standard InChI Key: FIAVDQNPFGKTBO-WQHFGFHISA-N
SMILES: O=Cc1c(O)c(C[C@@]2(C)CC[C@@H]3[C@@H]2[C@H]2[C@H](C2(C)C)CC[C@@]3(C)O)c(c(c1O)C(=O)CC(C)C)O

Molecular propeties

AlogP: 5.24
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 4
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 472.28
Topological polar surface area: 115
Number of aromatic rings: 1
Fsp3: 0.714
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantEucalyptus globulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others50 %Hepatocyte growth factor receptorP08581
Others50 %Hepatocyte growth factor receptorP08581
Others50 %Hepatocyte growth factor receptorP08581