Kocurin
AlkaPlorer ID: AK303644
Synonym: Baringolin, PM 181104, Antibiotic PM 181104
IUPAC Name: 2-[19-benzyl-14,21,28-trihydroxy-26-(2-hydroxy-2-iminoethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11-oxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),13,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-pentadecaen-36-yl]-N-[3-hydroxy-3-[1-[2-[C-hydroxy-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]carbonimidoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]iminoprop-1-en-2-yl]-1,3-thiazole-4-carboximidic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C1CCCN1C(=O)C(C)N=C(O)C(=C)N=C(O)C1=CSC(C2=CC=C3C4=NC(=C(C)O4)C(O)=NC(CC(=N)O)C4=NC(=CS4)C(O)=NC(CC4=CC=CC=C4)C4=NC(CS4)C(O)=NC(CC4=CC=C(O)C=C4)C(=O)N4CCCC4C4=NC(=CS4)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C69H66N18O13S5/c1-31(54(71)90)72-55(91)33(3)74-60(96)49-13-9-21-86(49)68(98)34(4)75-56(92)32(2)73-57(93)45-27-102-63(81-45)40-20-19-39-53(76-40)44-26-101-66(80-44)48-30-105-67(84-48)50-14-10-22-87(50)69(99)43(24-37-15-17-38(88)18-16-37)79-59(95)47-29-103-64(82-47)41(23-36-11-7-6-8-12-36)77-58(94)46-28-104-65(83-46)42(25-51(70)89)78-61(97)52-35(5)100-62(39)85-52/h6-8,11-12,15-20,26-28,30,34,41-43,47,49-50,88H,1-3,9-10,13-14,21-25,29H2,4-5H3,(H2,70,89)(H2,71,90)(H,72,91)(H,73,93)(H,74,96)(H,75,92)(H,77,94)(H,78,97)(H,79,95)
InChIKey: WWWYMYPACSXBTM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micrococcus sp. | Micrococcus | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
| Kocuria sp. | Kocuria | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
| Kocuria palustris | Kocuria | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1515.7350000000004
TPSA？: 479.98
MolLogP？: 11.85355999999999
Number of H-Donors: 12
Number of H-Acceptors: 25
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|