valeraninium A
AlkaPlorer ID: AK016891
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@H]1CCC2=C(C[C@@]3(C)CCC4=C3[C@H]3[C@@H](CC[C@H]4C)C3(C)C)C=[N+](CCC3=CC=C(O)C=C3)C=C12
InChI: InChI=1S/C33H43NO/c1-21-7-13-29-31(32(29,3)4)30-26(21)14-16-33(30,5)18-24-19-34(20-28-22(2)6-12-27(24)28)17-15-23-8-10-25(35)11-9-23/h8-11,19-22,29,31H,6-7,12-18H2,1-5H3/p+1/t21-,22+,29-,31-,33-/m1/s1
InChIKey: LCAMMVYIMZRBPK-LDKHBMLBSA-O
Reference
Tag and Snag: A New Platform for Bioactive Natural Product Screening from Mixtures
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Valeriana officinalis | Valeriana | Caprifoliaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 470.72100000000023
TPSA？: 24.11
MolLogP？: 7.3134000000000094
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|