Summary

IMPPAT Phytochemical identifier: IMPHY004988

Phytochemical name: Glycyrrhisoflavone

Synonymous chemical names:
glycyrrhisoflavone

External chemical identifiers:
CID:5317764, ChEMBL:CHEMBL491515, ZINC:ZINC000014762993, SureChEMBL:SCHEMBL12866237, MolPort-006-668-604

---

Chemical structure information

SMILES:
CC(=CCc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)cc(c2)O)C

InChI:
InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3

InChIKey:
JOQWUUJQWPZLAT-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))O)))ccoccc6=O))cO)ccc6)O))))))))))))))C

Functional groups:
CC=C(C)C, c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.003

---

Chemical structure download