Summary

IMPPAT Phytochemical identifier: IMPHY012945

Phytochemical name: Longistylin C

Synonymous chemical names:
longistylin c

External chemical identifiers:
CID:6446720, ChEMBL:CHEMBL445702, ChEBI:169155, ZINC:ZINC000012153774, SureChEMBL:SCHEMBL6232761, MolPort-035-706-529

---

Chemical structure information

SMILES:
COc1cc(O)cc(c1CC=C(C)C)/C=C/c1ccccc1

InChI:
InChI=1S/C20H22O2/c1-15(2)9-12-19-17(13-18(21)14-20(19)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10+

InChIKey:
NFAWEPOBHKEHPO-ZHACJKMWSA-N

DeepSMILES:
COcccO)ccc6CC=CC)C)))))/C=C/cccccc6

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

---

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: 1.519

---

Chemical structure download