Summary

IMPPAT Phytochemical identifier: IMPHY012460

Phytochemical name: 14-Hydroxyicajine

Synonymous chemical names:
14-hydroxyicajine

External chemical identifiers:
CID:210990

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Chemical structure information

SMILES:
CN1CCC23C(=O)CC4(C(=CCOC5C4C3N(c3c2cccc3)C(=O)C5)C1)O

InChI:
InChI=1S/C22H24N2O4/c1-23-8-7-21-14-4-2-3-5-15(14)24-18(26)10-16-19(20(21)24)22(27,11-17(21)25)13(12-23)6-9-28-16/h2-6,16,19-20,27H,7-12H2,1H3

InChIKey:
AHOSVLHVFRDGQF-UHFFFAOYSA-N

DeepSMILES:
CNCCCC=O)CCC=CCOCC7C%11Ncc%14cccc6))))))C=O)C6)))))))))C9))O

Functional groups:
CC(C)=O, CC=C(C)C, CN(C)C, CO, COC, cN(C)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2OCC=C3CNCCC45C(=O)CC3C2C4N1c1ccccc15

Scaffold Graph/Node level:
OC1CC2OCCC3CNCCC45C(O)CC3C2C4N1C1CCCCC15

Scaffold Graph level:
CC1CC2CCCC3CCCCC45C(C)CC3C2C4C1C1CCCCC15

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma-Iboga hybrid type (Vinca alkaloids)

NP-Likeness score: 2.026

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Chemical structure download