Isochelocardin
AlkaPlorer ID: AK302777
Synonym: None
IUPAC Name: 3-[N-(3-acetyl-4,4a,6,7-tetrahydroxy-8,11-dimethyl-2,5-dioxo-12,12a-dihydro-1H-tetracen-1-yl)-C-methylcarbonimidoyl]-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(N=C(C)C2=C(O)C(N)C3CC4=C(C)C5=CC=C(C)C(O)=C5C(O)=C4C(=O)C3(O)C2=O)C2CC3=C(C)C4=CC=C(C)C(O)=C4C(O)=C3C(=O)C2(O)C1=O
InChI: InChI=1S/C44H40N2O13/c1-13-7-9-19-15(3)21-11-23-31(45)37(52)25(39(54)43(23,58)41(56)29(21)35(50)27(19)33(13)48)17(5)46-32-24-12-22-16(4)20-10-8-14(2)34(49)28(20)36(51)30(22)42(57)44(24,59)40(55)26(18(6)47)38(32)53/h7-10,23-24,31-32,48-53,58-59H,11-12,45H2,1-6H3
InChIKey: GDEICGJUDVKXNW-UHFFFAOYSA-N
Reference
COCONUT: CNP0306074.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sulphurea | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 804.8050000000001
TPSA？: 285.56999999999994
MolLogP？: 3.456880000000004
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|