Chetracin A
AlkaPlorer ID: AK061699
Synonym: None
IUPAC Name: (1S,2S,3S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14-(hydroxymethyl)-20-methyl-13,19-dioxo-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-trien-3-yl]-14-(hydroxymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione
Structure
SMILES: CN1C(=O)[C@]23SSSS[C@@]1(CO)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@]4(CO)SSSS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O
InChI: InChI=1S/C30H28N6O8S8/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-51-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-52-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1
InChIKey: KYDKJZAJSURFEG-LRESJZTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hedysarum polybotrys | Hedysarum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 857.1240000000001
TPSA？: 186.22
MolLogP？: 1.868399999999999
Number of H-Donors: 6
Number of H-Acceptors: 18
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|