(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14S,15S,16R,17S,18R)-8-(acetyloxy)-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
AlkaPlorer ID: AK127480
Synonym: None
IUPAC Name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14S,15S,16R,17S,18R)-8-acetyloxy-11-ethyl-5,7,14,15-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)[C@H](O)[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC
InChI: InChI=1S/C34H47NO12/c1-7-35-14-31(15-42-3)23-22(43-4)20-24(35)33(23,28(44-5)21(37)25(31)38)18-13-32(41)27(46-30(40)17-11-9-8-10-12-17)19(18)34(20,47-16(2)36)26(39)29(32)45-6/h8-12,18-29,37-39,41H,7,13-15H2,1-6H3/t18-,19-,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,31-,32-,33+,34-/m1/s1
InChIKey: PQIRZRDUVVPCKK-AUJGELIASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diplodia corticola | Diplodia | Botryosphaeriaceae | Botryosphaeriales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Actaea japonica | Actaea | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Streptomyces coeruleoaurantiacus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 661.7450000000003
TPSA？: 173.68
MolLogP？: -0.3810999999999942
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|