Summary

IMPPAT Phytochemical identifier: IMPHY005317

Phytochemical name: Salvadourea

Synonymous chemical names:
salvadourea

External chemical identifiers:
CID:18509381, SureChEMBL:SCHEMBL3815151

---

Chemical structure information

SMILES:
COc1cccc(c1)CNC(=O)NCc1cccc(c1)OC

InChI:
InChI=1S/C17H20N2O3/c1-21-15-7-3-5-13(9-15)11-18-17(20)19-12-14-6-4-8-16(10-14)22-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)

InChIKey:
JZIDBUSSAJEFLR-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)CNC=O)NCcccccc6)OC

Functional groups:
CNC(=O)NC, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCc1ccccc1)NCc1ccccc1

Scaffold Graph/Node level:
OC(NCC1CCCCC1)NCC1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)CCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.837

---

Chemical structure download