Summary

IMPPAT Phytochemical identifier: IMPHY009249

Phytochemical name: Ochropposinine

Synonymous chemical names:
ochropposinine

External chemical identifiers:
CID:14634684, ChEBI:141930, ZINC:ZINC000013459100

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Chemical structure information

SMILES:
OCC[C@H]1C[C@@H]2N(C[C@@H]1CC)CCc1c2[nH]c2c1cc(c(c2)OC)OC

InChI:
InChI=1S/C21H30N2O3/c1-4-13-12-23-7-5-15-16-10-19(25-2)20(26-3)11-17(16)22-21(15)18(23)9-14(13)6-8-24/h10-11,13-14,18,22,24H,4-9,12H2,1-3H3/t13-,14-,18-/m0/s1

InChIKey:
CMGYMWAXDJQKLJ-DEYYWGMASA-N

DeepSMILES:
OCC[C@H]C[C@@H]NC[C@@H]6CC))))CCcc6[nH]cc5cccc6)OC)))OC

Functional groups:
CN(C)C, CO, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CCCCN1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.083

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Chemical structure download