Streptocarbazole B
AlkaPlorer ID: AK003150
Synonym: None
IUPAC Name: (2R,6S)-5,6-dimethoxy-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-4,8,10,12,14,19,21,23,25,27-decaen-18-one
Structure
SMILES: COC1=C(C)O[C@@H]2C[C@@]1(OC)N1C3=CC=CC=C3C3=C4CN=C(O)C4=C4C5=CC=CC=C5N2C4=C31
InChI: InChI=1S/C28H23N3O4/c1-14-26(33-2)28(34-3)12-20(35-14)30-18-10-6-4-8-15(18)22-23-17(13-29-27(23)32)21-16-9-5-7-11-19(16)31(28)25(21)24(22)30/h4-11,20H,12-13H2,1-3H3,(H,29,32)/t20-,28+/m1/s1
InChIKey: QNEZMBLJZLTXBD-NGOKVRLYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 465.5090000000003
TPSA？: 70.14000000000001
MolLogP？: 5.830200000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein kinase C theta | IC50 | 370.0 | nM | 10.1021/acs.jmedchem.0c01271 |
| Homo sapiens | Protein kinase C theta | Inhibition | 50.0 | % | 10.1021/acs.jmedchem.0c01271 |