IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(-)-Norargemonine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY003095
Phytochemical name:
(-)-Norargemonine
Synonymous chemical names:
norargemonine
External chemical identifiers:
CID:288121
Chemical structure information
SMILES:
COc1cc2c(cc1OC)CC1N(C2Cc2c1cc(c(c2)OC)O)C
InChI:
InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3
InChIKey:
ZQCGNPNWSMJDEF-UHFFFAOYSA-N
DeepSMILES:
COcccccc6OC))))CCNC6Ccc6cccc6)OC)))O)))))))C
Functional groups:
CN(C)C, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NC2Cc2ccccc21
Scaffold Graph/Node level:
C1CCC2C(C1)CC1NC2CC2CCCCC21
Scaffold Graph level:
C1CCC2C(C1)CC1CC2CC2CCCCC21
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Alkaloids and derivatives
ClassyFire Class:
Pavine alkaloids
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Tyrosine alkaloids
NP Classifier Class:
Isoquinoline alkaloids
NP-Likeness score:
0.978
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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