Chelocardin
AlkaPlorer ID: AK032026
Synonym: None
IUPAC Name: (1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione
Structure
SMILES: CC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(C[C@H]2[C@@H](N)C1=O)C(C)=C1C=CC(C)=C(O)C1=C3O
InChI: InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1
InChIKey: LUYXWZOOMKBUMB-ONJZCGHCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sulphurea | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 411.41000000000014
TPSA？: 158.14999999999998
MolLogP？: 1.2650399999999995
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|