Siomycin A; 7'-Parent amide
AlkaPlorer ID: AK313620
Synonym: Siomycin B
IUPAC Name: 2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C1NC(=O)C(C(C)C)NC2C=CC3=C(C(C)O)C=C(N=C3C2O)C(=O)OC(C)C2NC(=O)C3=CSC(=N3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)C(=CC)NC(=O)C(C(C)O)NC(=O)C3=CSC(=N3)C3(CCC(C4=NC(C(N)=O)=CS4)=NC3C3=CSC2=N3)NC(=O)C(C)NC(=O)C(=C)NC1=O
InChI: InChI=1S/C65H75N17O16S5/c1-12-33-58-76-40(20-100-58)55(93)81-48(64(11,97)30(10)85)61-77-39(21-102-61)53(91)80-44-29(9)98-62(96)36-17-32(27(7)83)31-13-14-34(46(86)45(31)71-36)70-42(23(2)3)56(94)69-25(5)51(89)67-24(4)50(88)68-26(6)52(90)82-65(63-78-41(22-103-63)54(92)79-43(28(8)84)57(95)73-33)16-15-35(59-75-38(19-99-59)49(66)87)72-47(65)37-18-101-60(44)74-37/h12-14,17-19,21-23,26-30,34,40,42-44,46-48,70,83-86,97H,4-5,15-16,20H2,1-3,6-11H3,(H2,66,87)(H,67,89)(H,68,88)(H,69,94)(H,73,95)(H,79,92)(H,80,91)(H,81,93)(H,82,90)
InChIKey: STTJBBWRTRUGII-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sioyaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1510.7530000000004
TPSA？: 504.5399999999997
MolLogP？: 1.2492000000000103
Number of H-Donors: 15
Number of H-Acceptors: 29
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|