Antibiotic CJ 12662; Dechloro
AlkaPlorer ID: AK288348
Synonym: Antibiotic CJ 12663, CJ 12663
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) 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=C3N(C)OC2N1
InChI: InChI=1S/C29H38N2O7/c1-15(2)19-12-11-17(4)29(35)21(19)13-16(3)24(36-18(5)32)25(29)37-26(33)22-14-28(34)20-9-7-8-10-23(20)31(6)38-27(28)30-22/h7-10,13,17,19,21-22,24-25,27,30,34-35H,1,11-12,14H2,2-6H3
InChIKey: XAJPLJZSHBJQSC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fischeri | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 526.6300000000003
TPSA？: 117.56000000000002
MolLogP？: 2.716500000000001
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|