Cinerubin R
AlkaPlorer ID: AK031966
Synonym: None
IUPAC Name: methyl (1R,2R,4S)-4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Structure
SMILES: CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CCC(OC4C=CC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(O)C=CC(O)=C1C3=O
InChI: InChI=1S/C42H51NO15/c1-8-42(51)17-28(32-21(36(42)41(50)52-7)15-22-33(38(32)48)39(49)35-26(46)10-9-25(45)34(35)37(22)47)57-31-16-23(43(5)6)40(20(4)55-31)58-30-14-12-27(19(3)54-30)56-29-13-11-24(44)18(2)53-29/h9-11,13,15,18-20,23,27-31,36,40,45-46,48,51H,8,12,14,16-17H2,1-7H3/t18?,19?,20?,23?,27?,28-,29?,30?,31?,36-,40?,42+/m0/s1
InChIKey: HIMMZWQWBNOPJH-PUVRDKBCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces eurythermus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 809.8620000000002
TPSA？: 217.05
MolLogP？: 3.668500000000002
Number of H-Donors: 4
Number of H-Acceptors: 16
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|