AT2433-A4
AlkaPlorer ID: AK060119
Synonym: None
IUPAC Name: 5-chloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
Structure
SMILES: CO[C@H]1[C@H](O)[C@@H](O)[C@H](N2C3=C(Cl)C=CC=C3C3=C2C2=C(C4=C3C(=O)N(C)C4=O)C3=CC=CC=C3N2)O[C@@H]1CO
InChI: InChI=1S/C28H24ClN3O7/c1-31-26(36)18-16-11-6-3-4-9-14(11)30-20(16)22-17(19(18)27(31)37)12-7-5-8-13(29)21(12)32(22)28-24(35)23(34)25(38-2)15(10-33)39-28/h3-9,15,23-25,28,30,33-35H,10H2,1-2H3/t15-,23-,24-,25-,28-/m1/s1
InChIKey: DBYKGSYMCOHYFG-IJKWSERMSA-N
Reference
Cytotoxic Indolocarbazoles from<i>Actinomadura melliaura</i>ATCC 39691
PubChem CID: 100939920
LOTUS: LTS0134047
NPASS: NPC472843
{NPAtlas: NPA004942
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura melliaura | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 549.9670000000003
TPSA？: 137.25
MolLogP？: 2.9347000000000008
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| Homo sapiens | A549 | Activity | 47.4 | % | 10.1021/acs.jnatprod.5b00429 |
| Homo sapiens | PC-3 | Activity | 69.0 | % | 10.1021/acs.jnatprod.5b00429 |
| Micrococcus luteus | Micrococcus luteus | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| Salmonella enterica | Salmonella enterica | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| Staphylococcus aureus | Staphylococcus aureus | GI | nan | None | 10.1021/acs.jnatprod.5b00429 |
| None | NON-PROTEIN TARGET | Activity | 40.5 | % | 10.1021/acs.jnatprod.5b00429 |