Cycloprodigiosin

AlkaPlorer ID: AK325751

Synonym: None

IUPAC Name: 3-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

Structure

SMILES: COC1=CC(C2=CC=CN2)=N/C1=C\C1=C2C(=C(C)N1)CCCC2C

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InChI: InChI=1S/C20H23N3O/c1-12-6-4-7-14-13(2)22-18(20(12)14)10-17-19(24-3)11-16(23-17)15-8-5-9-21-15/h5,8-12,21-22H,4,6-7H2,1-3H3/b17-10-

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InChIKey: DSHIIBUGOWQFSO-YVLHZVERSA-N

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Properties Information

Molecule Weight: 321.4240000000001

TPSA: 53.17

MolLogP: 4.465120000000003

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information