chanoclavine-I

Chemical Formula:

C₁₆H₂₁N₂O

Molecular Weight:

257.355 Daltons

Monoisotopic Mass:

257.1653883066 Daltons

SMILES:

CC(CO)=C[CH]1(C(CC3(C2(C1=CC=CC=2NC=3)))[N+]C)

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

InChIKey:

SAHHMCVYMGARBT-HEESEWQSSA-O

Synonyms

isochanoclavin
chanoclavin
(6R,7R)-7-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-N-methyl-2-azatricyclo[6.3.1.0^4,12]dodeca-1(12),3,8,10-tetraen-6-aminium

Databases

MetaCyc: CPD-12356

PubChem (CID): 71296212

ChEBI: 72949

KEGG: C09131

MetaNetX: MNXM10913