Summary

IMPPAT Phytochemical identifier: IMPHY006487

Phytochemical name: trans-Stilbene

Synonymous chemical names:
stilbene, stilbenes, trans-stilbene

External chemical identifiers:
CID:638088, ChEMBL:CHEMBL113028, ChEBI:36007, ZINC:ZINC000001577148, FDASRS:3FA7NW80A0, SureChEMBL:SCHEMBL442, MolPort-000-255-165

---

Chemical structure information

SMILES:
c1ccc(cc1)/C=C/c1ccccc1

InChI:
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+

InChIKey:
PJANXHGTPQOBST-VAWYXSNFSA-N

DeepSMILES:
cccccc6))/C=C/cccccc6

Functional groups:
c/C=C/c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids, Flavonoids

NP Classifier Class: Chalcones, Monomeric stilbenes

NP-Likeness score: 0.038

---

Chemical structure download