Summary

IMPPAT Phytochemical identifier: IMPHY004774

Phytochemical name: Luteolin 4'-sulfate

Synonymous chemical names:
4-o-sulfate-3,4,5,7-tetrahydroxyflavone

External chemical identifiers:
CID:44258152, ChEBI:169924, ZINC:ZINC000014757035

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)OS(=O)(=O)O

InChI:
InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-13(23-14(15)5-8)7-1-2-12(9(17)3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)

InChIKey:
MCJCSFGCQMESFL-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))cccccc6)O))OS=O)=O)O

Functional groups:
c=O, cO, cOS(=O)(=O)O, 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: 1.459

---

Chemical structure download