neoline
AlkaPlorer ID: AK004999
Synonym: '', 'Bullatine-B', 'Dideacetyldelphisine', 'Neoline', 'SMR000470774', 'MLSMR', 'MLS000728583', '(1alpha,6alpha,14alpha,16beta)-20-ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol'
IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,9R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O
InChI: InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21?,22+,23-,24+/m1/s1
InChIKey: XRARAKHBJHWUHW-QVUBZLTISA-N
Reference
Diterpenoid alkaloids from <i>Delphinium gracile</i>
PubChem CID: 10003218
LOTUS: LTS0092961
NPASS: NPC97209
Source
Properties Information
Molecule Weight: 437.57700000000017
TPSA？: 91.62000000000002
MolLogP？: 0.5020000000000022
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|