Lymphostin; 2',3'-Dihydro, 3'-O-de-Me, N6-deacetyl, N6-propanoyl 

AlkaPlorer ID: AK072881

Synonym: Neolymphostinol B

IUPAC Name: N-[6-(3-hydroxypropanoyl)-11-imino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-9-yl]propanamide

Structure

SMILES: CCC(=O)NC1=CC(N)=C2N=CC3=CC(C(=O)CCO)=NC1=C32

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InChI: InChI=1S/C16H16N4O3/c1-2-13(23)19-11-6-9(17)15-14-8(7-18-15)5-10(20-16(11)14)12(22)3-4-21/h5-7,21H,2-4,17H2,1H3,(H,19,23)

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InChIKey: GYWWOSXLGZQGOQ-UHFFFAOYSA-N

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Reference

SuperNatural Ⅲ: SN0119043

COCONUT: CNP0419568

Source

Properties Information

Molecule Weight: 312.329

TPSA: 117.67000000000002

MolLogP: 1.7945999999999995

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information