Summary

IMPPAT Phytochemical identifier: IMPHY007671

Phytochemical name: Corynan-17-ol

Synonymous chemical names:
dihydrocorynantheol

External chemical identifiers:
CID:164952, ChEMBL:CHEMBL4076672, SureChEMBL:SCHEMBL3132906

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Chemical structure information

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

InChI:
InChI=1S/C19H26N2O/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/h3-6,13-14,18,20,22H,2,7-12H2,1H3/t13-,14-,18-/m0/s1

InChIKey:
KBMIVGVAJKVWBU-DEYYWGMASA-N

DeepSMILES:
OCC[C@H]C[C@@H]NC[C@@H]6CC))))CCcc6[nH]cc5cccc6

Functional groups:
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: 1.159

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Chemical structure download