Rugulovasine B

AlkaPlorer ID: AK064376

Synonym: '', 'Rugulovasine A'

IUPAC Name: (4R,5S)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one

Structure

SMILES: CN[C@@H]1CC2=CNC3=CC=CC(=C23)[C@@]12C=C(C)C(=O)O2

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InChI: InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16+/m1/s1

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InChIKey: QTWQJTORJVFWAQ-CJNGLKHVSA-N

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Reference

Penicillium Toxins

PubChem CID: 9993173

LOTUS: LTS0217019

Source

Properties Information

Molecule Weight: 268.316

TPSA: 54.120000000000005

MolLogP: 2.0104

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information