Antibiotic CJ 12662
AlkaPlorer ID: AK288347
Synonym: CJ 12662
IUPAC Name: (2-acetyloxy-8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-1-yl) 6-chloro-9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
Structure
SMILES: C=C(C)C1CCC(C)C2(O)C1C=C(C)C(OC(C)=O)C2OC(=O)C1CC2(O)C3=CC=CC(Cl)=C3N(C)OC2N1
InChI: InChI=1S/C29H37ClN2O7/c1-14(2)18-11-10-16(4)29(36)20(18)12-15(3)24(37-17(5)33)25(29)38-26(34)22-13-28(35)19-8-7-9-21(30)23(19)32(6)39-27(28)31-22/h7-9,12,16,18,20,22,24-25,27,31,35-36H,1,10-11,13H2,2-6H3
InChIKey: HKKWAWBGKFXXRS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fischeri | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 561.0750000000003
TPSA？: 117.56000000000002
MolLogP？: 3.369900000000001
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|