Summary

IMPPAT Phytochemical identifier: IMPHY013033

Phytochemical name: Geissoschizal

Synonymous chemical names:
geissoschizal

External chemical identifiers:
CID:11022778, ZINC:ZINC000137481360

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Chemical structure information

SMILES:
O=CC[C@H]1C[C@@H]2N(C/C/1=C/C)CCc1c2[nH]c2c1cccc2

InChI:
InChI=1S/C19H22N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,10,14,18,20H,7-9,11-12H2,1H3/b13-2-/t14-,18-/m0/s1

InChIKey:
BPOHSWSDHJBBKX-VILUJCMCSA-N

DeepSMILES:
O=CC[C@H]C[C@@H]NC/C/6=C/C))))CCcc6[nH]cc5cccc6

Functional groups:
C/C=C(/C)C, CC=O, CN(C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2c3[nH]c4ccccc4c3CCN2C1

Scaffold Graph/Node level:
CC1CCC2C3NC4CCCCC4C3CCN2C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCCC4CC23)C1

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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: 1.537

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Chemical structure download