Summary

IMPPAT Phytochemical identifier: IMPHY008104

Phytochemical name: Fisetinidol

Synonymous chemical names:
(-)-fisetinidol, fisetinidol

External chemical identifiers:
CID:442397, ChEMBL:CHEMBL3039234, ChEBI:5066, ZINC:ZINC000003978494, SureChEMBL:SCHEMBL1851553

---

Chemical structure information

SMILES:
Oc1ccc2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2/t13-,15+/m0/s1

InChIKey:
VFZYLYJWCROVLO-DZGCQCFKSA-N

DeepSMILES:
Occcccc6)O[C@@H][C@H]C6)O))cccccc6)O))O

Functional groups:
CO, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavan-3-ols

NP-Likeness score: 1.867

---

Chemical structure download