Parazoanthoxanthin A; 3-Me

AlkaPlorer ID: AK091353

Synonym: Parazoanthoxanthin B

IUPAC Name: 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine

Structure

SMILES: CC1=C2N=C(N)N=C2C=CC2=C1N(C)C(N)=N2

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InChI: InChI=1S/C11H12N6/c1-5-8-6(14-10(12)16-8)3-4-7-9(5)17(2)11(13)15-7/h3-4H,1-2H3,(H2,13,15)(H2,12,14,16)

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InChIKey: DQQICZZFBGDLKE-UHFFFAOYSA-N

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Reference

PubChem CID: 138453983

SuperNatural Ⅲ: SN0072830

COCONUT: CNP0304108

Properties Information

Molecule Weight: 228.259

TPSA: 95.64

MolLogP: 0.94092

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information