4-O-demethyl-11-deoxydoxorubicin
AlkaPlorer ID: AK030493
Synonym: None
IUPAC Name: (7R,9S)-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: C[C@H]1O[C@@H](O[C@@H]2C[C@](O)(C(=O)CO)CC3=CC4=C(C(=O)C5=C(O)C=CC=C5C4=O)C(O)=C32)C[C@@H](N)[C@H]1O
InChI: InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18+,22+,26+/m1/s1
InChIKey: ROILTUODAPUWLG-KAKOBGMRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces peucetius | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 513.4990000000003
TPSA？: 196.84
MolLogP？: -0.0073000000000001
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|