Dehydronapelline
AlkaPlorer ID: AK063341
Synonym: '', '12-epi-Dehydronapelline', '(+)-12-Epidehydronapelline'
IUPAC Name: (1R,2R,4S,5R,8S,10R,12S,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol
Structure
SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@H]2O)[C@]12[C@@H]4CC[C@]5(C)[C@H]1C[C@H]3[C@@H]2N(CC)[C@@H]5O4
InChI: InChI=1S/C22H31NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13-,14-,15-,16+,17+,18-,19-,20-,21+,22+/m1/s1
InChIKey: ULFMQUVPNJZNKM-RMNFRDRLSA-N
Reference
Chemical constituents of the aerial parts of Aconitum kongboense
PubChem CID: 162983525
LOTUS: LTS0066330
SuperNatural Ⅲ: SN0373408-08
NPASS: NPC174101
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: 357.4940000000001
TPSA？: 52.93000000000001
MolLogP？: 2.1558
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|