Summary

IMPPAT Phytochemical identifier: IMPHY011107

Phytochemical name: Sideroxylin

Synonymous chemical names:
sideroxylin

External chemical identifiers:
CID:3083788, ChEMBL:CHEMBL1819400, ChEBI:69916, ZINC:ZINC000014780122, MolPort-035-705-968

---

Chemical structure information

SMILES:
COc1c(C)c2oc(cc(=O)c2c(c1C)O)c1ccc(cc1)O

InChI:
InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3

InChIKey:
QJSQOGJCHBXLAH-UHFFFAOYSA-N

DeepSMILES:
COccC)coccc=O)c6cc%10C))O)))))cccccc6))O

Functional groups:
c=O, cO, cOC, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.52

---

Chemical structure download