Summary

IMPPAT Phytochemical identifier: IMPHY004567

Phytochemical name: Chlorophorin

Synonymous chemical names:
chlorophorin

External chemical identifiers:
CID:5281713, ChEMBL:CHEMBL2227759, ChEBI:3629, ZINC:ZINC000001531702, SureChEMBL:SCHEMBL675663, MolPort-039-338-765

---

Chemical structure information

SMILES:
C/C(=CCc1c(O)cc(cc1O)/C=C/c1ccc(cc1O)O)/CCC=C(C)C

InChI:
InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+

InChIKey:
OEILZVSHVTYHKL-MZYNZGBKSA-N

DeepSMILES:
C/C=CCccO)cccc6O)))/C=C/cccccc6O)))O)))))))))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, CC=C(C)C, c/C=C/c, cO

---

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

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 1.754

---

Chemical structure download