Daunorubicin hydrochloride
AlkaPlorer ID: AK006429
Synonym: 'Rubidomycin hydrochloride', 'L-lyxo-Hexopyranoside, 3.beta.-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naththacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride', "4'-epidaunorubicin", "3'-Epidaunorubicin", 'Rubomycin C', '5,12-Naphthacenedione, 8-acetyl-10-(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, hydrochloride', 'Daunoblastin', 'Daunomycin', 'Daunomycin hydrochloride', 'daunorubicin', 'Daunorubicin', '(1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenedione, hydrochloride, (8S-cis)-', 'Antibiotics from Streptomyces coeruleorubidus'
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]3C[C@@H](N)[C@H](O)[C@H](C)O3)C(O)=C1C2=O
InChI: InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14+,16-,17-,22+,27-/m0/s1
InChIKey: STQGQHZAVUOBTE-GKPNIHARSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 527.5260000000003
TPSA？: 185.84
MolLogP？: 1.0288999999999993
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|