Summary

IMPPAT Phytochemical identifier: IMPHY001179

Phytochemical name: Rhazimol

Synonymous chemical names:
rhazimol

External chemical identifiers:
CID:101986486

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Chemical structure information

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

InChI:
InChI=1S/C20H22N2O3/c1-2-12-10-22-8-7-19-13-5-3-4-6-15(13)21-17(19)16(22)9-14(12)20(19,11-23)18(24)25/h2-6,14,16,23H,7-11H2,1H3,(H,24,25)/b12-2+/t14?,16-,19?,20+/m0/s1

InChIKey:
FDYLWAVIWXASTK-PHNSURTRSA-N

DeepSMILES:
C/C=CCNCC[C@][C@@][C@H]8C[C@H]8C6=Ncc9cccc6)))))))))))CO))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34CC1CC2C3=Nc1ccccc14

Scaffold Graph/Node level:
CC1CN2CCC34CC1CC2C3NC1CCCCC14

Scaffold Graph level:
CC1CC2CCC34CC1CC2C3CC1CCCCC14

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Corynanthean-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.425

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Chemical structure download