11-deoxydoxorubicin
AlkaPlorer ID: AK026510
Synonym: None
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C=C1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChI: InChI=1S/C27H29NO10/c1-11-23(31)15(28)7-19(37-11)38-17-9-27(35,18(30)10-29)8-12-6-14-22(25(33)20(12)17)26(34)21-13(24(14)32)4-3-5-16(21)36-2/h3-6,11,15,17,19,23,29,31,33,35H,7-10,28H2,1-2H3/t11-,15-,17-,19-,23+,27-/m0/s1
InChIKey: JBVCUZWDGRKRKU-CYMFRXPCSA-N
Reference
Structures of novel anthracycline antitumor antibiotics from Micromonospora peucetica
PubChem CID: 10256356
LOTUS: LTS0164475
SuperNatural Ⅲ: SN0161280-05
{NPAtlas: NPA012403
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 527.5260000000003
TPSA？: 185.84
MolLogP？: 0.2956999999999991
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|