Navigation

name Structure Reference Source Properties Activities Metabolism

13-deoxycarminomycin

AlkaPlorer ID: AK043406

Synonym: None

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: CC[C@]1(O)CC2=C(O)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1

copy

InChI: InChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/t10-,13-,15-,16-,21+,26-/m0/s1

copy

InChIKey: UHYFCDBUKBJSFA-JYFLSIMMSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces peucetius Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 499.5160000000003

TPSA？: 179.77

MolLogP？: 1.5469

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 6.25 ug.mL-1 10.1021/np50039a011
Escherichia coli Escherichia coli MIC 3.12 ug.mL-1 10.1021/np50039a011
Homo sapiens HeLa Activity 36.0 % 10.1021/np50039a011
Homo sapiens HeLa Activity 55.0 % 10.1021/np50039a011
Homo sapiens HeLa Activity 90.0 % 10.1021/np50039a011
Homo sapiens HeLa Activity 126.0 % 10.1021/np50039a011
Homo sapiens HeLa ID50 6.2 ng/ml 10.1021/np50039a011
Micrococcus luteus Micrococcus luteus MIC 1.56 ug.mL-1 10.1021/np50039a011
Mus musculus Mus musculus Activity nan None 10.1021/np50039a011
Mus musculus P388 Activity 109.0 % 10.1021/np50039a011
Mus musculus P388 Activity 136.0 % 10.1021/np50039a011
Mus musculus P388 Activity 150.0 % 10.1021/np50039a011
Mus musculus P388 Activity 163.0 % 10.1021/np50039a011
Mus musculus P388 ID50 1.5 ng/ml 10.1021/np50039a011
Mus musculus P388 ID50 4.0 ng/ml 10.1021/np50039a011
Staphylococcus aureus Staphylococcus aureus MIC 12.5 ug.mL-1 10.1021/np50039a011
Staphylococcus aureus Staphylococcus aureus MIC 25.0 ug.mL-1 10.1021/np50039a011

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009864 CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O>>CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O RXN-14827
AKRT010306 CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O.C[SAH]>>CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O RXN-14826
AKRT010307 CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O>>CC(O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O RXN-16478
AKRT010308 CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O>>C[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@@H](C)O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)C[C@H](N)[C@@H]1O MNXR134718