Adametizine B

AlkaPlorer ID: AK470127

Synonym: None

IUPAC Name: 3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione

Structure

SMILES: COC1=CC=C(C2SSC34CC5(O)C(O)C=CC(O)C5ON3C(=O)C2N(C)C4=O)C(O)=C1OC

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InChI: InChI=1S/C21H24N2O9S2/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-34-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3

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InChIKey: NQGNMVJXQJSYCA-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 512.5620000000002

TPSA: 149.23

MolLogP: -0.0624000000000001

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information