Summary

IMPPAT Phytochemical identifier: IMPHY006438

Phytochemical name: Antirhine

Synonymous chemical names:
anthirine, antirhine, rhazinine

External chemical identifiers:
CID:5462421, ChEBI:2764, ZINC:ZINC000004097850, MolPort-039-141-793

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Chemical structure information

SMILES:
OC[C@@H]([C@H]1CCN2[C@@H](C1)c1[nH]c3c(c1CC2)cccc3)C=C

InChI:
InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1

InChIKey:
RYMNVEAAYOFGCI-DEYYWGMASA-N

DeepSMILES:
OC[C@@H][C@H]CCN[C@@H]C6)c[nH]ccc5CC9)))cccc6)))))))))))))C=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CCCCN1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 0.876

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Chemical structure download