Cytoblastin

AlkaPlorer ID: AK028813

Synonym: None

IUPAC Name: (10S,13S)-5-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one

Structure

SMILES: CC(C)[C@H]1C(O)=N[C@H](CO)CC2=CNC3=C2C(=CC=C3[C@H](C2=CNC3=CC=CC=C23)[C@H](O)CO)N1C

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InChI: InChI=1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)/t17-,23+,25+,27-/m0/s1

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InChIKey: NXVPLRFWXAISBZ-QLPZLAKISA-N

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Properties Information

Molecule Weight: 490.6040000000002

TPSA: 128.10000000000002

MolLogP: 3.468600000000001

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information