Puberanine
AlkaPlorer ID: AK089734
Synonym: ''
IUPAC Name: [(2S,3S,5S,6S,8S,9S,10R,13S,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@]2(OC(=O)C3=CC=CC=C3N=C(C)O)CCC(OC)C34[C@@H]1[C@@](O)(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@]1(O)C2OC
InChI: InChI=1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21-,22-,23+,24?,25?,27-,28+,29-,30-,31?,32-/m0/s1
InChIKey: XTSVKUJYTUPYRJ-IOIHQWRNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum leucostomum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 600.7090000000004
TPSA？: 150.51
MolLogP？: 1.986
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|