Summary

IMPPAT Phytochemical identifier: IMPHY000923

Phytochemical name: Hirsutidin

Synonymous chemical names:
hirsutidin

External chemical identifiers:
CID:441694, ChEBI:5728, ZINC:ZINC000000897627, SureChEMBL:SCHEMBL7527028

---

Chemical structure information

SMILES:
COc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(OC)c(c(c1)OC)O

InChI:
InChI=1S/C18H16O7/c1-22-10-6-12(19)11-8-13(20)18(25-14(11)7-10)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1

InChIKey:
JGPCLGHKWGCWNO-UHFFFAOYSA-O

DeepSMILES:
COcccO)ccc6)[o+]ccc6)O))cccOC))ccc6)OC)))O

Functional groups:
cO, cOC, c[o+]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccc3ccccc3[o+]2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

---

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: Anthocyanidins

NP-Likeness score: 1.188

---

Chemical structure download