IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Olivacine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005621
Phytochemical name:
Olivacine
Synonymous chemical names:
olivacine
External chemical identifiers:
CID:5281407
Chemical structure information
SMILES:
Cc1nccc2c1cc1c3ccccc3[nH]c1c2C
InChI:
InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,19H,1-2H3
InChIKey:
ZIXGXMMUKPLXBB-UHFFFAOYSA-N
DeepSMILES:
Ccncccc6cccccccc6[nH]c9c%13C
Functional groups:
c[nH]c, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cc3ccncc3cc12
Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC3CCNCC3CC12
Scaffold Graph level:
C1CCC2CC3C(CC2C1)CC1CCCCC13
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Indoles and derivatives
ClassyFire Subclass:
Carbazoles
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tryptophan alkaloids
NP Classifier Class:
Carboline alkaloids
NP-Likeness score:
0.157
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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