IMPPAT Phytochemical information: 
4H-Dibenzo(de,g)quinoline-1,2-diol, 5,6,6a,7-tetrahydro-9,10-dimethoxy-6-methyl-, (6aS)-
4H-Dibenzo(de,g)quinoline-1,2-diol, 5,6,6a,7-tetrahydro-9,10-dimethoxy-6-methyl-, (6aS)-
Summary

IMPPAT Phytochemical identifier: IMPHY007518

Phytochemical name: 4H-Dibenzo(de,g)quinoline-1,2-diol, 5,6,6a,7-tetrahydro-9,10-dimethoxy-6-methyl-, (6aS)-

Synonymous chemical names:
lastourvilline

External chemical identifiers:
CID:155514
Chemical structure information

SMILES:
COc1cc2-c3c(O)c(O)cc4c3[C@H](Cc2cc1OC)N(C)CC4

InChI:
InChI=1S/C19H21NO4/c1-20-5-4-10-7-14(21)19(22)18-12-9-16(24-3)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

InChIKey:
SBGGUHPMRYOCBS-ZDUSSCGKSA-N

DeepSMILES:
COccc-ccO)cO)ccc6[C@H]Cc%10cc%14OC))))))NC)CC6

Functional groups:
CN(C)C, cO, cOC
Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.575

Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT