(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,8,16,17-tetrol
AlkaPlorer ID: AK177686
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16,17-tetrol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@]23O)[C@@H]14
InChI: InChI=1S/C23H37NO6/c1-4-24-10-20(11-29-2)6-5-16(25)23-13-7-12-15(30-3)9-21(27,17(13)18(12)26)14(19(23)24)8-22(20,23)28/h12-19,25-28H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17-,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey: BLSAAALQQWKVQN-ZSBWPKGISA-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: 423.5500000000002
TPSA？: 102.62000000000002
MolLogP？: -0.0079999999999983
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|