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Adametizine B

AlkaPlorer ID: AK030448

Synonym: None

IUPAC Name: (1R,3S,4R,7R,8S,12S,13S)-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=C(OC)C(O)=C([C@@H]2SS[C@@]34C[C@]5(O)[C@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2N(C)C4=O)C=C1

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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/t10-,12-,13-,16+,17+,20+,21-/m1/s1

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InChIKey: NQGNMVJXQJSYCA-FEHKQZEWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium adametzioides Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 512.5620000000002

TPSA？: 149.23000000000002

MolLogP？: -0.0624000000000006

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans Candida albicans MIC 30.0 ug.mL-1 10.1021/acs.jnatprod.1c01020
Homo sapiens A549 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens DU-145 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens HeLa IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens HepG2 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens MCF7 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens NCI-H446 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens SW1990 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens SW480 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Homo sapiens U-251 IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1021/acs.jnatprod.5b00102
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1021/acs.jnatprod.5b00102

Metabolism Information