Summary

IMPPAT Phytochemical identifier: IMPHY008767

Phytochemical name: 4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-

Synonymous chemical names:
prosogerin e, prosogerin e (6,7-dihydroxy-3',4',5'-trimethoxyflavone)

External chemical identifiers:
CID:5488683, SureChEMBL:SCHEMBL1777839

---

Chemical structure information

SMILES:
COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cc(c(c2)O)O

InChI:
InChI=1S/C18H16O7/c1-22-16-4-9(5-17(23-2)18(16)24-3)14-7-11(19)10-6-12(20)13(21)8-15(10)25-14/h4-8,20-21H,1-3H3

InChIKey:
COJGTOWPKOSQSC-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OC))))ccc=O)cco6)cccc6)O))O

Functional groups:
c=O, cO, cOC, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.859

---

Chemical structure download