Summary

IMPPAT Phytochemical identifier: IMPHY003430

Phytochemical name: Heteroflavanone C

Synonymous chemical names:
heteroflavanone c

External chemical identifiers:
CID:42608025, ChEBI:175311

---

Chemical structure information

SMILES:
COc1cc(OC)c(c(c1)OC)C1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2O)O

InChI:
InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3

InChIKey:
LKUWYFZLCAUAGB-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6)OC)))CCC=O)ccO6)cCC=CC)C))))ccc6O)))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.913

---

Chemical structure download