tryptoquivaline O

AlkaPlorer ID: AK013041

Synonym: None

IUPAC Name: None

Structure

SMILES: [H][C@]12N[C@@H](C)C(=O)N1C1=CC=CC=C1[C@@]21C[C@@H](N2/C=N\C3=CC=CC=C3C2=O)C(=O)O1

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InChI: InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(21(26)24-12)10-17(20(29)30-22)25-11-23-15-8-4-2-6-13(15)19(25)28/h2-9,11-12,17,21,24H,10H2,1H3/t12-,17+,21-,22-/m0/s1

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InChIKey: ZVBIGFFAMBWOSA-TYTLQBBQSA-N

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Properties Information

Molecule Weight: 402.4100000000002

TPSA: 93.53000000000002

MolLogP: 1.4443999999999997

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information