Summary

IMPPAT Phytochemical identifier: IMPHY013546

Phytochemical name: Lansimide 3

Synonymous chemical names:
lansimide 3

External chemical identifiers:
CID:85584195, ChEBI:172147

---

Chemical structure information

SMILES:
COC(C1N(C)C(=O)C(C1c1ccccc1)O)c1ccccc1

InChI:
InChI=1S/C19H21NO3/c1-20-16(18(23-2)14-11-7-4-8-12-14)15(17(21)19(20)22)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3

InChIKey:
MNNOPIIJDXUZST-UHFFFAOYSA-N

DeepSMILES:
COCCNC)C=O)CC5cccccc6)))))))O)))))cccccc6

Functional groups:
CC(=O)N(C)C, CO, COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)C(Cc2ccccc2)N1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(CC2CCCCC2)N1

Scaffold Graph level:
CC1CC(CC2CCCCC2)C(C2CCCCC2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: Phenylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.856

---

Chemical structure download