Finaconitine
AlkaPlorer ID: AK043981
Synonym: '', 'Finaconitine'
IUPAC Name: [(1R,2R,3R,4S,5R,6S,8S,9R,13S,16S,17R)-11-ethyl-2,3,8,9-tetrahydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3NC(C)=O)CC[C@H](OC)[C@]34C1[C@](O)(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC
InChI: InChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24+,25+,27?,28+,29-,30+,31-,32+,33+/m1/s1
InChIKey: IUJWSEFNAUXHTB-PEOOALOTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 630.7350000000005
TPSA？: 167.25
MolLogP？: 0.6990000000000025
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|