Summary

IMPPAT Phytochemical identifier: IMPHY005468

Phytochemical name: Norathyriol

Synonymous chemical names:
1,3,6,7-tetrahydroxy xanthone, 1,3,6,7-tetrahydroxyxanthone, 1,3,6,7-tetrahydroxyxanthone (i), xanthone, 1-3-6-7-tetrahydroxy

External chemical identifiers:
CID:5281656, ChEMBL:CHEMBL187265, ChEBI:7622, ZINC:ZINC000006090922, SureChEMBL:SCHEMBL2418732, MolPort-001-741-798

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)O)O

InChI:
InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H

InChIKey:
ZHTQCPCDXKMMLU-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))cccc6)O))O

Functional groups:
c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones, Plant xanthones

NP-Likeness score: 1.496

---

Chemical structure download