Summary

IMPPAT Phytochemical identifier: IMPHY017189

Phytochemical name: Litebamine

Synonymous chemical names:
litebamine

External chemical identifiers:
CID:196885, ChEMBL:CHEMBL453173

---

Chemical structure information

SMILES:
COc1c(O)c2CN(C)CCc2c2c1c1cc(OC)c(cc1cc2)O

InChI:
InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3

InChIKey:
QOWFEPGZJDCIKG-UHFFFAOYSA-N

DeepSMILES:
COccO)cCNC)CCc6cc%10cccOC))ccc6cc%10))))O

Functional groups:
CN(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1c3c(ccc12)CNCC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCNCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthrols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.069

---

Chemical structure download