Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015247

Phytochemical name: [(1R,9S,11S,12Z)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.09,14]octadeca-2,4,6,17-tetraen-18-yl]methanol

Synonymous chemical names:
minfiensine

External chemical identifiers:
CID:CID_14526586

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Chemical structure information

SMILES:
C/C=C/1\CN2CC[C@@]34[C@@]2(C[C@@H]1C(=C3)CO)Nc1c4cccc1

InChI:
InChI=1S/C19H22N2O/c1-2-13-11-21-8-7-18-9-14(12-22)15(13)10-19(18,21)20-17-6-4-3-5-16(17)18/h2-6,9,15,20,22H,7-8,10-12H2,1H3/b13-2+/t15-,18+,19-/m0/s1

InChIKey:
HICMXDKNSCMBDU-YLTHFTGLSA-N

DeepSMILES:
C/C=C\CNCC[C@@][C@@]5C[C@@H]\9C=C6)CO)))))Ncc5cccc6

Functional groups:
C/C=C(\C)C, cN[C@](C)(C)N(C)C, CC(=CC)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34C=CC1CC23Nc1ccccc14

Scaffold Graph/Node level:
CC1CN2CCC34CCC1CC23NC1CCCCC14

Scaffold Graph level:
CC1CC2CCC34CCC1CC23CC1CCCCC14

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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: Corynanthe type

NP-Likeness score: 2.064

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Chemical structure download