Summary

IMPPAT Phytochemical identifier: IMPHY009403

Phytochemical name: Isookanin

Synonymous chemical names:
isookanin

External chemical identifiers:
CID:12309904, ChEMBL:CHEMBL1505816

---

Chemical structure information

SMILES:
O=C1CC(Oc2c1ccc(c2O)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2

InChIKey:
ZPVNWCMRCGXRJD-UHFFFAOYSA-N

DeepSMILES:
O=CCCOcc6cccc6O))O)))))))cccccc6)O))O

Functional groups:
cC(C)=O, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.614

---

Chemical structure download