13-(6-deoxy-alpha-L-mannopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
AlkaPlorer ID: AK000397
Synonym: None
IUPAC Name: 3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
Structure
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)O)O)O
InChI: InChI=1S/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26+/m0/s1
InChIKey: FYQXRIMLEOPQQP-DDWDLLSFSA-N
Reference
Cytotoxic indolocarbazoles alkaloids from the streptomyces sp. A65
PubChem CID: 10366843
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | Bacillati | Bacteria |
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | Bacillati | Bacteria |
| Streptomyces coelicolor | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | Bacillati | Bacteria |
Properties Information
Molecule Weight: 457.48600000000016
TPSA？: 119.74000000000001
MolLogP？: 2.672400000000001
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 9000.0 | nM | 10.1021/acs.jnatprod.8b00103 |
| Homo sapiens | K562 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.8b00103 |
| Homo sapiens | L02 | IC50 | 73800.0 | nM | 10.1021/acs.jnatprod.8b00103 |
| Homo sapiens | Protein kinase C theta | IC50 | 2500.0 | nM | 10.1021/acs.jmedchem.0c01271 |
| Homo sapiens | Protein kinase C theta | Inhibition | 50.0 | % | 10.1021/acs.jmedchem.0c01271 |
| None | Unchecked | IC50 | 46000.0 | nM | 10.1021/acs.jnatprod.8b00103 |