Summary

IMPPAT Phytochemical identifier: IMPHY010628

Phytochemical name: Lansine

Synonymous chemical names:
lansine

Chemical structure information

SMILES:
COc1ccc2c(c1)c1cc(C=O)c(cc1[nH]2)O

InChI:
InChI=1S/C14H11NO3/c1-18-9-2-3-12-11(5-9)10-4-8(7-16)14(17)6-13(10)15-12/h2-7,15,17H,1H3

InChIKey:
INFFNJXOAJWVCS-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cccC=O))ccc6[nH]9)))O

Functional groups:
cC=O, cO, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 0.646

---

Chemical structure download