Chloro-orienticin C
AlkaPlorer ID: AK064442
Synonym: None
IUPAC Name: (2R,18R,19R,22S,25R,40S)-2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37,48-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Structure
SMILES: CN[C@H](CC(C)C)C(O)=N[C@H]1C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H]2C(O)=NC3C(O)=NC(C(O)=N[C@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@H](OC3CC(C)(N)C(O)C(C)O3)C3=CC=C(OC4=CC2=CC(=C4O)OC2=CC=C(C=C2Cl)[C@H]1O)C(Cl)=C3
InChI: InChI=1S/C60H65Cl2N9O19/c1-22(2)12-33(65-5)53(79)70-47-49(76)25-7-10-37(31(61)14-25)88-39-16-27-17-40(50(39)77)89-38-11-8-26(15-32(38)62)51(90-42-21-60(4,64)52(78)23(3)87-42)48-58(84)69-46(59(85)86)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(55(81)71-48)68-56(82)45(27)67-54(80)34(20-41(63)75)66-57(47)83/h6-11,13-19,22-23,33-34,42,44-49,51-52,65,72-74,76-78H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,83)(H,67,80)(H,68,82)(H,69,84)(H,70,79)(H,71,81)(H,85,86)/t23?,33-,34+,42?,44?,45-,46+,47-,48?,49-,51-,52?,60?/m1/s1
InChIKey: CHSINQSLUWRGER-YGSFPILTSA-N
Reference
New glycopeptide antibiotics: II. The isolation and structures of chloroorienticins.
PubChem CID: 139587402
LOTUS: LTS0104074
{NPAtlas: NPA015464
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis orientalis | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1287.13
TPSA？: 473.2700000000001
MolLogP？: 8.724870000000006
Number of H-Donors: 17
Number of H-Acceptors: 20
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|