Geninthiocin
AlkaPlorer ID: AK009922
Synonym: '', 'Geninthiocin'
IUPAC Name: 2-[[(14S,17E,27S)-17-ethylidene-12,15,22,25,28,35,38-heptahydroxy-14-[(1S)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-33-methyl-24,30,37,40-tetramethylidene-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2(7),3,5,8(47),10,12,15,18(46),20,22,25,28,31(45),33,35,38,41(44)-octadecaene-4-carbonyl]amino]-N-(3-hydroxy-3-iminoprop-1-en-2-yl)prop-2-enimidic acid
Structure
SMILES: C=C(N=C(O)C(=C)NC(=O)C1=CC=C2C3=NC(=CS3)C(O)=N[C@@H]([C@H](C)O)C(O)=N/C(=C/C)C3=NC(=CO3)C(O)=NC(=C)C(O)=N[C@@H](C(C)(C)O)C(O)=NC(=C)C3=NC(=C(C)O3)C(O)=NC(=C)C(O)=NC(=C)C3=NC(=CO3)C2=N1)C(=N)O
InChI: InChI=1S/C50H49N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-17,24,32,35,66,77H,2-7H2,1,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12+/t24-,32-,35+/m0/s1
InChIKey: JNUIXQXFKIJDIV-VODWNKBSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1132.0989999999997
TPSA？: 478.23
MolLogP？: 6.765790000000005
Number of H-Donors: 13
Number of H-Acceptors: 21
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|