Globimycin
AlkaPlorer ID: AK151727
Synonym: None
IUPAC Name: 2-[[(14S)-31-ethylidene-12,15,22,29,36,39-hexahydroxy-14-[(1R)-1-hydroxyethyl]-17-(2-hydroxypropylidene)-24-methoxy-10,20,34-trimethyl-38,41-dimethylidene-9,19,33-trioxa-26,43-dithia-3,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18(48),20,22,25(47),27,29,32(46),34,36,39,42(45)-nonadecaene-4-carbonyl]amino]-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]prop-2-enimidic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C(=C)NC(=O)C1=CC=C2C3=NC(=C(C)O3)C(O)=N[C@@H]([C@@H](C)O)C(O)=NC(=CC(C)O)C3=NC(=C(C)O3)C(O)=NC(OC)C3=NC(=CS3)C(O)=NC(=CC)C3=NC(=C(C)O3)C(O)=NC(=C)C(O)=NC(=C)C3=NC(=CS3)C2=N1)C(=N)O
InChI: InChI=1S/C55H54N16O16S2/c1-13-30-51-69-36(27(10)86-51)47(81)60-23(6)43(77)61-24(7)54-65-33(17-88-54)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)50-68-37(26(9)85-50)48(82)67-35(25(8)73)46(80)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-34(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,81)(H,61,77)(H,63,79)(H,64,80)(H,67,82)(H,71,83)/t19?,25-,35+,53?/m1/s1
InChIKey: SFYFDFXPSXKHLA-JYUBDARUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces globisporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1259.267
TPSA？: 500.3500000000001
MolLogP？: 8.143930000000006
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|