Ditrisarubicin B
AlkaPlorer ID: AK029919
Synonym: 'Ditrisarubicin B'
IUPAC Name: 10-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-6-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-2-methyloxan-3-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Structure
SMILES: CCC1(O)CC(OC2C(C)OC(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)CC2N(C)C)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2C1OC1CC(N(C)C)C(OC2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)C(C)O1
InChI: InChI=1S/C60H80N2O22/c1-12-60(70)22-39(79-53-25(4)71-40(16-30(53)61(8)9)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
InChIKey: XOWBSQHTLMJEJN-UHFFFAOYSA-N
Reference
New antitumor antibiotics, ditrisarubicins A, B and C.
PubChem CID: 160289
CAS: 87385-19-1
LOTUS: LTS0123397
COCONUT: CNP0336593
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？: 4.122600000000008
Number of H-Donors: 4
Number of H-Acceptors: 24
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|