Sibiromycin
AlkaPlorer ID: AK021094
Synonym: None
IUPAC Name: (6R,6aS)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(E)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Structure
SMILES: C/C=C/C1=CN2C(=O)C3=CC(O[C@@H]4O[C@@H](C)[C@H](NC)[C@@](C)(O)[C@H]4O)=C(C)C(O)=C3N[C@H](O)[C@@H]2C1
InChI: InChI=1S/C24H33N3O7/c1-6-7-13-8-15-21(30)26-17-14(22(31)27(15)10-13)9-16(11(2)18(17)28)34-23-20(29)24(4,32)19(25-5)12(3)33-23/h6-7,9-10,12,15,19-21,23,25-26,28-30,32H,8H2,1-5H3/b7-6+/t12-,15-,19-,20-,21+,23-,24+/m0/s1
InChIKey: RAGFPHFDFVNLCG-INYQBOQCSA-N
Reference
PubChem CID: 6437361
CAS: 12684-33-2
LOTUS: LTS0121903
NPASS: NPC314702
{NPAtlas: NPA001741
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptosporangium sibiricum | Streptosporangium | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 475.54200000000026
TPSA？: 143.75
MolLogP？: 0.9425199999999994
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Calf thymus DNA | Delta Tm | 16.0 | degrees C | 10.1021/jm901722v |
| Bos taurus | Calf thymus DNA | Delta Tm | 16.3 | degrees C | 10.1021/jm901722v |
| Homo sapiens | K562 | IC50 | 1.4 | nM | 10.1021/jm901722v |
| Mus musculus | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| None | NON-PROTEIN TARGET | GI50 | 33.0 | nM | 10.1021/jm901722v |
| None | NON-PROTEIN TARGET | LC50 | 16700.0 | nM | 10.1021/jm901722v |
| None | NON-PROTEIN TARGET | TGI | 850.0 | nM | 10.1021/jm901722v |