Obelmycin D
AlkaPlorer ID: AK008522
Synonym: None
IUPAC Name: (7S,9R,10S)-7-[(2R,4R,5R,6R)-4-(dimethylamino)-5-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[(2S,4R,5R,6S)-4-(dimethylamino)-5-[(2S,4R,5R,6R)-4-hydroxy-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O[C@@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C(=O)C4=C(O)C=CC(O)=C4C3=O)C(O)=C2[C@@H]1O[C@H]1C[C@@H](N(C)C)[C@@H](O[C@H]2C[C@@H](O)[C@@H](O[C@H]3CC[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](C)O1
InChI: InChI=1S/C60H88N2O23/c1-12-60(73)23-38(80-41-19-30(61(8)9)55(26(4)76-41)83-43-21-36(67)57(28(6)78-43)81-39-17-15-32(63)24(2)74-39)47-50(54(72)49-48(53(47)71)51(69)45-34(65)13-14-35(66)46(45)52(49)70)59(60)85-42-20-31(62(10)11)56(27(5)77-42)84-44-22-37(68)58(29(7)79-44)82-40-18-16-33(64)25(3)75-40/h13-14,24-33,36-44,55-59,63-68,71-73H,12,15-23H2,1-11H3/t24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,36-,37+,38-,39-,40-,41-,42-,43+,44-,55-,56-,57+,58-,59-,60+/m0/s1
InChIKey: NWSULKNDMBRCNS-NSBUQMFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces violaceus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1205.355
TPSA？: 333.4500000000001
MolLogP？: 3.3790000000000058
Number of H-Donors: 9
Number of H-Acceptors: 25
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|