Summary

IMPPAT Phytochemical identifier: IMPHY005451

Phytochemical name: Hinokiflavone

Synonymous chemical names:
hinokiflavone

External chemical identifiers:
CID:5281627, ChEMBL:CHEMBL291426, ChEBI:5721, ZINC:ZINC000004098521, SureChEMBL:SCHEMBL617272, MolPort-006-148-905

---

Chemical structure information

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

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

InChIKey:
WTDHMFBJQJSTMH-UHFFFAOYSA-N

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

Functional groups:
c=O, cO, cOc, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc(Oc3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3CCC4OC(C5CCCCC5)CC(O)C4C3)CC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCC4CC(C5CCCCC5)CC(C)C4C3)CC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.007

---

Chemical structure download