Summary

IMPPAT Phytochemical identifier: IMPHY001300

Phytochemical name: Tylophorinicine

Synonymous chemical names:
tylophorinicine

External chemical identifiers:
CID:44443369, ChEMBL:CHEMBL399965, FDASRS:1ICX41M16Q

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Chemical structure information

SMILES:
COc1cc2c3cc(OC)c(cc3c3c(c2cc1OC)[C@@H](O)[C@H]1N(C3)CCC1)OC

InChI:
InChI=1S/C24H27NO5/c1-27-19-8-13-14-9-20(28-2)22(30-4)11-16(14)23-17(15(13)10-21(19)29-3)12-25-7-5-6-18(25)24(23)26/h8-11,18,24,26H,5-7,12H2,1-4H3/t18-,24-/m0/s1

InChIKey:
JWHWLMNMGLICQZ-UUOWRZLLSA-N

DeepSMILES:
COccccccOC))ccc6ccc%10cc%14OC)))))[C@@H]O)[C@H]NC6)CCC5))))))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)c1c(c3ccccc32)CN2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)C1CCCCC1C1CN3CCCC3CC21

Scaffold Graph level:
C1CC2CC3C4CCCCC4C4CCCCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthroindolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 0.896

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Chemical structure download