1021325-61-0
AlkaPlorer ID: AK006730
Synonym: None
IUPAC Name: (8S,8aR)-8-isothiocyanato-3,8-dimethyl-5-propan-2-yl-2,6,7,8a-tetrahydro-1H-naphthalene
Structure
SMILES: CC1=CC2=C(C(C)C)CC[C@](C)(N=C=S)[C@@H]2CC1
InChI: InChI=1S/C16H23NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,15H,5-8H2,1-4H3/t15-,16+/m1/s1
InChIKey: VAGDKFYBEMENDK-CVEARBPZSA-N
Reference
Axiplyns A–E, new sesquiterpene isothiocyanates from the marine sponge Axinyssa aplysinoides
PubChem CID: 44567039
LOTUS: LTS0023661
SuperNatural Ⅲ: SN0384895-02
NPASS: NPC118595
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 261.434
TPSA？: 12.36
MolLogP？: 4.950600000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Nippostrongylus brasiliensis | Nippostrongylus brasiliensis | Activity | None | None | 10.1021/np50073a002 |