Teleocidin B-3
AlkaPlorer ID: AK014136
Synonym: None
IUPAC Name: (6S,9S,14S,17S)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
Structure
SMILES: C=C[C@]1(C)CC[C@@](C)(C(C)C)C2=CC3=C4C(=CNC4=C21)C[C@@H](CO)NC(=O)[C@H](C(C)C)N3C
InChI: InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27+,28-/m0/s1
InChIKey: PEYTUVXFLCCGCC-YYGVREGISA-N
Reference
Isolation and structure elucidation of teleocidin B-1, B-2, B-3, and B-4.
PubChem CID: 180629
CAS: 95189-06-3
LOTUS: LTS0046147
{NPAtlas: NPA006592
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kitasatospora mediocidica | Kitasatospora | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 451.6550000000002
TPSA？: 68.36
MolLogP？: 4.813100000000004
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Caspase-3 | Activity | None | None | 10.1016/j.bmc.2011.05.009 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | Activity | None | None | 10.1021/np50060a022 |
| Homo sapiens | HeLa | Activity | None | None | 10.1016/j.bmc.2011.05.009 |
| Homo sapiens | Inhibitor of apoptosis protein 3 | Inhibition | None | % | 10.1016/j.bmc.2011.05.009 |
| None | Unchecked | Activity | None | None | 10.1021/np50060a038 |