23-(9-methyl)decanoic acid demalonylazalomycin F4a ester
AlkaPlorer ID: AK037247
Synonym: None
IUPAC Name: [(1R,3S,5R,7R,9S,15S,30S,31S,33R,34S,35R)-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 9-methyldecanoate
Structure
SMILES: CNC(=N)NCCCC=CCCC[C@H](C)[C@@H]1OC(=O)C(C)=CC=CC(C)C(O)CC(O)C(C)C(O)CC[C@H](C)[C@@H](O)C[C@@]2(O)O[C@@H](C[C@@H](OC(=O)CCCCCCCC(C)C)C[C@H](O)C[C@@H](O)C[C@H](O)C(C)=CC=CC1C)C[C@@H](O)[C@@H]2O
InChI: InChI=1S/C64H113N3O15/c1-41(2)24-18-14-13-16-20-30-59(76)80-51-35-49(68)34-50(69)36-54(71)42(3)26-22-28-46(7)60(45(6)25-19-15-11-12-17-21-33-67-63(65)66-10)81-62(78)47(8)29-23-27-43(4)55(72)39-56(73)48(9)53(70)32-31-44(5)58(75)40-64(79)61(77)57(74)38-52(37-51)82-64/h11-12,22-23,26-29,41,43-46,48-58,60-61,68-75,77,79H,13-21,24-25,30-40H2,1-10H3,(H3,65,66,67)/t43?,44-,45-,46?,48?,49+,50+,51-,52-,53?,54-,55?,56?,57+,58-,60-,61-,64+/m0/s1
InChIKey: HLOXOVNVRWJMFB-USLLODBXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. 211726 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1164.6139999999996
TPSA？: 312.04
MolLogP？: 7.492670000000012
Number of H-Donors: 13
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|