Ditrisarubicin B
AlkaPlorer ID: AK090770
Synonym: None
IUPAC Name: (7R,9S,10S)-7-[(2S,4R,5R,6S)-4-(dimethylamino)-5-[[(1S,3S,5S,8S,10S,12R,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2R,4S,5R,6R)-4-(dimethylamino)-5-[[(1R,3S,5R,8S,10R,12R,14R)-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-4,6,9,11-tetrahydroxy-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]4O[C@H]5CC(=O)[C@H](C)O[C@@H]5O[C@H]4[C@H](C)O3)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=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]3O[C@H]4CC(=O)[C@@H](C)O[C@@H]4O[C@@H]3[C@@H](C)O2)[C@@H](C)O1
InChI: InChI=1S/C60H80N2O22/c1-12-60(70)22-39(79-40-16-30(61(8)9)53(25(4)71-40)80-42-20-35-55(27(6)73-42)83-58-37(77-35)18-33(64)23(2)75-58)45-48(52(69)46-47(51(45)68)50(67)44-29(49(46)66)14-13-15-32(44)63)57(60)82-41-17-31(62(10)11)54(26(5)72-41)81-43-21-36-56(28(7)74-43)84-59-38(78-36)19-34(65)24(3)76-59/h13-15,23-28,30-31,35-43,53-59,63,68-70H,12,16-22H2,1-11H3/t23-,24+,25-,26+,27-,28+,30+,31-,35-,36+,37-,38-,39+,40+,41+,42+,43+,53-,54-,55-,56+,57-,58+,59+,60-/m0/s1
InChIKey: MUVMZSPKUBTGDH-XKMCSLBRSA-N
Reference
New antitumor antibiotics, ditrisarubicins A, B and C.
PubChem CID: 139589049
LOTUS: LTS0276486
{NPAtlas: NPA020943
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces cyaneus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1181.2919999999997
TPSA？: 284.90000000000003
MolLogP？: 4.122600000000009
Number of H-Donors: 4
Number of H-Acceptors: 24
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|