Summary

IMPPAT Phytochemical identifier: IMPHY005893

Phytochemical name: Licoflavonol

Synonymous chemical names:
licoflavonol

External chemical identifiers:
CID:5481964, ChEMBL:CHEMBL600185, ChEBI:175548, ZINC:ZINC000014762755, FDASRS:9E3F3Z8Y1E, SureChEMBL:SCHEMBL8050093, MolPort-044-726-726

---

Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O)C

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

InChIKey:
TVMHBSODLWMMMV-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)cccccc6))O))))))O))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.931

---

Chemical structure download