Feedback

chanoclavine-I

Properties

Image

Occurences in reactions

MNX_ID

MNXM10913

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₁₆H₂₁N₂O

charge

mass

257.16484

reference

InChIKey

SAHHMCVYMGARBT-HEESEWQSSA-O

InChI

InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/p+1/b10-6+/t13-,15-/m1/s1

SMILES

C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@H]1/C=C(\C)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72949 chebi:72949	chanoclavine-I (4R,5R)-5-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-N-methyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-aminium chanoclavine-I(1+)
sabiork.compound:11222 sabiorkM:11222 seed.compound:cpd06027 seedM:cpd06027 kegg.compound:C09131 keggC:C09131	Chanoclavine-I
CHEBI:3576 chebi:3576	chanoclavine-I (2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol chanoclavin-I chanoclavine
metacyc.compound:CPD-12356 metacycM:CPD-12356	chanoclavine-I (6R,7R)-7-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-N-methyl-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-6-aminium chanoclavin isochanoclavin
seed.compound:cpd23371 seedM:cpd23371	chanoclavin (6R,7R)-7-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-N-methyl-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-6-aminium chanoclavine 1 chanoclavine-I isochanoclavin
keggC:M_C09131 seedM:M_cpd06027 seedM:M_cpd23371	secondary/obsolete/fantasy identifier