Summary

IMPPAT Phytochemical identifier: IMPHY005450

Phytochemical name: Hypolaetin

Synonymous chemical names:
hypolaetin

External chemical identifiers:
CID:5281648, ChEMBL:CHEMBL1829395, ChEBI:5837, SureChEMBL:SCHEMBL7743466

---

Chemical structure information

SMILES:
Oc1cc(ccc1O)c1cc(=O)c2c(o1)c(O)c(cc2O)O

InChI:
InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H

InChIKey:
ASOIXDIITRKTOX-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))))ccc=O)cco6)cO)ccc6O)))O

Functional groups:
c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.631

---

Chemical structure download