Summary

IMPPAT Phytochemical identifier: IMPHY013137

Phytochemical name: Agehoustin F

Synonymous chemical names:
agehoustin f

External chemical identifiers:
CID:13939320

---

Chemical structure information

SMILES:
COc1cc(c(cc1OC)O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC

InChI:
InChI=1S/C20H20O9/c1-24-13-6-9(10(21)7-14(13)25-2)12-8-11(22)15-16(23)18(26-3)20(28-5)19(27-4)17(15)29-12/h6-8,21,23H,1-5H3

InChIKey:
YJDFIUIKTFAMOM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))O))ccc=O)cco6)cOC))ccc6O))OC)))OC

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: 1.34

---

Chemical structure download