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mitomycin C

AlkaPlorer ID: AK001035

Synonym: 'Mitonco', 'mitomycin C', 'MMC', 'Mitomycin', '7-Amino-9alpha-methoxymitosane', 'Ametycine', 'Mitocin-C', 'Mitocin C', 'Mutamycin', 'Mitoplus', 'NSC 26980', 'Mitomycin C'

IUPAC Name: [(4R,6R,7S,8R)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Structure

SMILES: CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O

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InChI: InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m0/s1

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InChIKey: NWIBSHFKIJFRCO-JZQLQECVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 334.3320000000001

TPSA？: 146.89

MolLogP？: -1.651199999999997

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli AC50 496.0 nM None
Homo sapiens Ataxin-2 Potency 11220.2 nM None
Homo sapiens DNA polymerase kappa Potency 89125.1 nM None
Homo sapiens Geminin Potency 2310.9 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Glycoprotein hormones alpha chain Potency 7079.5 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 11220.2 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 15848.9 nM None
Homo sapiens HEK293 Potency 707.9 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 16360.1 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 35481.3 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10322.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 103.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 115.8 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 79432.8 nM None
None NON-PROTEIN TARGET AbsAC35_uM 9.61 uM None
None Unchecked AbsAC35_uM 19.37 uM None
None Unchecked AC50 11530.0 nM None
None Unchecked Potency 100.0 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 8199.5 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 44668.4 nM None

Metabolism Information