IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Majoridine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005909
Phytochemical name:
Majoridine
Synonymous chemical names:
majoridin, majoridine
External chemical identifiers:
CID:5379619
Chemical structure information
SMILES:
C/C=C/1CN2C3C4C1CC2C1C(C4OC(=O)C)(C3)c2c(N1C)ccc(c2)OC
InChI:
InChI=1S/C23H28N2O3/c1-5-13-11-25-18-9-15(13)20-19(25)10-23(22(20)28-12(2)26)16-8-14(27-4)6-7-17(16)24(3)21(18)23/h5-8,15,18-22H,9-11H2,1-4H3/b13-5+
InChIKey:
SGXOBVVNZTTYAF-WLRTZDKTSA-N
DeepSMILES:
C/C=CCNCCC6CC6CCC7OC=O)C))))C8)ccN5C))cccc6)OC
Functional groups:
C/C=C(/C)C, CN(C)C, COC(C)=O, cN(C)C, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15
Scaffold Graph/Node level:
CC1CN2C3CC45CC3C1CC2C4NC1CCCCC15
Scaffold Graph level:
CC1CC2C3CC45CC3C1CC2C4CC1CCCCC15
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
ClassyFire Class:
Ajmaline-sarpagine alkaloids
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tryptophan alkaloids
NP Classifier Class:
Corynanthe type
NP-Likeness score:
2.31
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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