Phyto4Health

Dilatrin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL560792
PubChem: 45269252
IUPAC: 5-hydroxy-2-methoxy-7-phenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenalen-1-one
Standard InChI: InChI=1S/C26H24O9/c1-33-17-10-13-9-16(28)25(35-26-24(32)23(31)22(30)18(11-27)34-26)20-14(12-5-3-2-4-6-12)7-8-15(19(13)20)21(17)29/h2-10,18,22-24,26-28,30-32H,11H2,1H3/t18-,22-,23+,24-,26+/m1/s1
Standard InChI Key: QNLWVMSADZYXEG-OKOABTSWSA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(O)cc3c4c2c(ccc4C(=O)C(=C3)OC)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 1.57
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 5
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 480.14
Topological polar surface area: 146
Number of aromatic rings: 3
Fsp3: 0.269
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantDigitalis ferruginea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.