Axinythiocyanate A
AlkaPlorer ID: AK071238
Synonym: '(+)-Axinythiocyanate A'
IUPAC Name: [(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] thiocyanate
Structure
SMILES: CC(C)=CCC[C@@](C)(SC#N)[C@H]1CC=C(C)CC1
InChI: InChI=1S/C16H25NS/c1-13(2)6-5-11-16(4,18-12-17)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3/t15-,16+/m0/s1
InChIKey: HVGZCCDETWAGDK-JKSUJKDBSA-N
Reference
Isothiocyanate Sesquiterpenes from a Sponge of the Genus<i>Axinyssa</i>
PubChem CID: 162983938
LOTUS: LTS0043448
SuperNatural Ⅲ: SN0136453-02
NPASS: NPC271277
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pelargonium capitatum | Pelargonium | Geraniaceae | Geraniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Astragalus lentiginosus | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Salvia aspera | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 23.79
MolLogP？: 5.452180000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|