IV B
AlkaPlorer ID: AK042512
Synonym: None
IUPAC Name: (9R)-7-[(4S)-4-(dimethylamino)-5-[[(10S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)CC(OC2C[C@H](N(C)C)C(OC3C[C@@H]4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)C1O
InChI: InChI=1S/C40H49NO14/c1-7-40(48)15-27(31-21(38(40)47)11-20-32(35(31)46)34(45)30-19(33(20)44)9-8-10-23(30)42)53-28-12-22(41(5)6)36(17(3)49-28)54-29-14-25-37(18(4)50-29)55-39-26(52-25)13-24(43)16(2)51-39/h8-11,16-18,22,25-29,36-39,42,46-48H,7,12-15H2,1-6H3/t16?,17?,18?,22-,25-,26?,27?,28?,29?,36?,37?,38?,39?,40+/m0/s1
InChIKey: AYOLXZYWMYZLAV-ASPNCTAQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces purpurascens | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 767.8250000000003
TPSA？: 199.98
MolLogP？: 2.9509000000000047
Number of H-Donors: 4
Number of H-Acceptors: 15
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|