Summary

IMPPAT Phytochemical identifier: IMPHY012689

Phytochemical name: Angustidine

Synonymous chemical names:
angustidine

External chemical identifiers:
CID:3084770, ZINC:ZINC000013360061

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Chemical structure information

SMILES:
Cc1ncc2c(c1)cc1-c3[nH]c4c(c3CCn1c2=O)cccc4

InChI:
InChI=1S/C19H15N3O/c1-11-8-12-9-17-18-14(13-4-2-3-5-16(13)21-18)6-7-22(17)19(23)15(12)10-20-11/h2-5,8-10,21H,6-7H2,1H3

InChIKey:
JCBVEVKMVDYNPQ-UHFFFAOYSA-N

DeepSMILES:
Ccncccc6)cc-c[nH]ccc5CCn9c%13=O))))))cccc6

Functional groups:
c=O, c[nH]c, cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CNCCC2CC2C3NC4CCCCC4C3CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C1CCC1C3CCCCC3CC12

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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: Carboline alkaloids, Corynanthe type

NP-Likeness score: -0.013

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Chemical structure download