Summary

IMPPAT Phytochemical identifier: IMPHY010614

Phytochemical name: Tylophorine

Synonymous chemical names:
2,3,6,7-tetramethoxy-phenanthro [9,10,6,7] indolizidine (tylophorine), 2,3,6,7-tetramethoxy-phenanthro [9,10_6,7] indolizidine (tylophorine), tylophorine

External chemical identifiers:
CID:92114, ChEMBL:CHEMBL250426, ChEBI:9786, ZINC:ZINC000004098809, FDASRS:O41630Y8V3, SureChEMBL:SCHEMBL523625

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Chemical structure information

SMILES:
COc1cc2c3C[C@@H]4CCCN4Cc3c3c(c2cc1OC)cc(c(c3)OC)OC

InChI:
InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1

InChIKey:
SSEUDFYBEOIWGF-AWEZNQCLSA-N

DeepSMILES:
COccccC[C@@H]CCCN5Cc9ccc%13cc%17OC)))))cccc6)OC)))OC

Functional groups:
CN(C)C, 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: 0.403

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Chemical structure download