Summary

IMPPAT Phytochemical identifier: IMPHY010878

Phytochemical name: Tembamide

Synonymous chemical names:
tembamide

External chemical identifiers:
CID:177583, ChEMBL:CHEMBL1985788

---

Chemical structure information

SMILES:
COc1ccc(cc1)C(CNC(=O)c1ccccc1)O

InChI:
InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)

InChIKey:
NICURWGAEFHESQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCNC=O)cccccc6)))))))))O

Functional groups:
CO, cC(=O)NC, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(NCCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: -0.617

---

Chemical structure download