11-O-demethylpradimicinone II
AlkaPlorer ID: AK053258
Synonym: None
IUPAC Name: 2-[[(5S,6S)-1,5,6,7,9,11,14-heptahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Structure
SMILES: CC1=C(C(O)=NC(C)C(=O)O)C(O)=C2C(=C1)[C@H](O)[C@@H](O)C1=C(O)C3=C(C(=O)C4=CC(O)=CC(O)=C4C3=O)C(O)=C21
InChI: InChI=1S/C27H21NO12/c1-6-3-9-14(21(33)12(6)26(38)28-7(2)27(39)40)15-16(25(37)20(9)32)24(36)18-17(23(15)35)19(31)10-4-8(29)5-11(30)13(10)22(18)34/h3-5,7,20,25,29-30,32-33,35-37H,1-2H3,(H,28,38)(H,39,40)/t7?,20-,25-/m0/s1
InChIKey: ZYIREGFVRPWOMN-MAVRXOSISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura verrucosospora | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 551.4600000000004
TPSA？: 245.64
MolLogP？: 1.8235200000000005
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|