Summary

IMPPAT Phytochemical identifier: IMPHY013004

Phytochemical name: Cinchonaminone

Synonymous chemical names:
cinchonaminone

External chemical identifiers:
CID:10358166, ZINC:ZINC000013397009

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Chemical structure information

SMILES:
OCCc1c([nH]c2c1cccc2)C(=O)C[C@@H]1CCNC[C@@H]1C=C

InChI:
InChI=1S/C19H24N2O2/c1-2-13-12-20-9-7-14(13)11-18(23)19-16(8-10-22)15-5-3-4-6-17(15)21-19/h2-6,13-14,20-22H,1,7-12H2/t13-,14-/m0/s1

InChIKey:
DPFKPQCJYMDGGR-KBPBESRZSA-N

DeepSMILES:
OCCcc[nH]cc5cccc6)))))))C=O)C[C@@H]CCNC[C@@H]6C=C

Functional groups:
C=CC, CNC, CO, cC(C)=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCNCC1)c1cc2ccccc2[nH]1

Scaffold Graph/Node level:
OC(CC1CCNCC1)C1CC2CCCCC2N1

Scaffold Graph level:
CC(CC1CCCCC1)C1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 0.693

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Chemical structure download