Summary

IMPPAT Phytochemical identifier: IMPHY002714

Phytochemical name: Galluflavanone

Synonymous chemical names:
galluflavanone

External chemical identifiers:
CID:101326873, ZINC:ZINC000085797528

---

Chemical structure information

SMILES:
Oc1ccc2c(c1)O[C@@H](CC2=O)c1cc(O)c(c(c1)c1c(O)ccc2c1O[C@@H](CC2=O)c1cc(O)c(c(c1)O)O)O

InChI:
InChI=1S/C30H22O11/c31-14-1-2-15-19(33)10-24(40-26(15)9-14)12-5-17(28(38)21(35)6-12)27-18(32)4-3-16-20(34)11-25(41-30(16)27)13-7-22(36)29(39)23(37)8-13/h1-9,24-25,31-32,35-39H,10-11H2/t24-,25-/m0/s1

InChIKey:
IDDFUPQGTOMEGV-DQEYMECFSA-N

DeepSMILES:
Occcccc6)O[C@@H]CC6=O)))cccO)ccc6)ccO)cccc6O[C@@H]CC6=O)))cccO)ccc6)O))O))))))))))))))O

Functional groups:
cC(C)=O, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc(-c3cccc4c3OC(c3ccccc3)CC4=O)c2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)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: Flavanones

NP-Likeness score: 1.359

---

Chemical structure download