Duocarmycin D
AlkaPlorer ID: AK484481
Synonym: None
IUPAC Name: methyl 4-hydroxy-8-(hydroxymethyl)-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3H-pyrrolo[3,2-e]indole-2-carboxylate
Structure
SMILES: COC(=O)C1(C)NC2=C(O)C=C3C(=C2C1=O)C(CO)=CN3C(=O)C1=CC2=C(N1)C(OC)=C(OC)C(OC)=C2
InChI: InChI=1S/C26H25N3O9/c1-26(25(34)38-5)23(32)18-17-12(10-30)9-29(14(17)8-15(31)20(18)28-26)24(33)13-6-11-7-16(35-2)21(36-3)22(37-4)19(11)27-13/h6-9,27-28,30-31H,10H2,1-5H3
InChIKey: OXYZQOYSQSPFMI-UHFFFAOYSA-N
Reference
Duocarmycins, Potent Antitumor Antibiotics Produced by Streptomyces sp. Structures and Chemistry.
PubChem CID: 73189854
CAS: 169181-35-5
LOTUS: LTS0042694
COCONUT: CNP0321328.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 523.4980000000004
TPSA？: 161.33999999999995
MolLogP？: 2.5747
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|