Summary

IMPPAT Phytochemical identifier: IMPHY005474

Phytochemical name: Robustaflavone

Synonymous chemical names:
robusta flavone, robustaflavone, robustaflavone (isomer of amentoflavanone)

External chemical identifiers:
CID:5281694, ChEMBL:CHEMBL63677, ChEBI:8881, ZINC:ZINC000004098601, SureChEMBL:SCHEMBL561807, MolPort-044-726-753

---

Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)O

InChI:
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H

InChIKey:
BORWSEZUWHQTOK-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O))cccccc6O))))ccc=O)cco6)cccc6O)))O))))))))))))O

Functional groups:
c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCC4OC(C5CCCCC5)CC(O)C4C3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCC4CC(C5CCCCC5)CC(C)C4C3)C2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.184

---

Chemical structure download