(1R,4R,4aR,8aS)-4-isopropyl-1-isothiocyanato-1,4a,6,8a-tetramethyl-3,4,7,8-tetrahydro-2H-naphthalene
AlkaPlorer ID: AK255368
Synonym: None
IUPAC Name: (1R,4R,4aS,8aR)-4-isothiocyanato-4,4a,7,8a-tetramethyl-1-propan-2-yl-2,3,5,6-tetrahydro-1H-naphthalene
Structure
SMILES: CC1=C[C@@]2(C)[C@@H](C(C)C)CC[C@@](C)(N=C=S)[C@@]2(C)CC1
InChI: InChI=1S/C18H29NS/c1-13(2)15-8-10-18(6,19-12-20)17(5)9-7-14(3)11-16(15,17)4/h11,13,15H,7-10H2,1-6H3/t15-,16+,17+,18-/m1/s1
InChIKey: QNHBVTZDBFHOJX-VSZNYVQBSA-N
Reference
Secondary metabolites of the Vietnamese nudibranch mollusk Phyllidiella pustulosa
PubChem CID: 163013480
LOTUS: LTS0118994
SuperNatural Ⅲ: SN0310044-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidiella pustulosa | Phyllidiella | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 291.5040000000001
TPSA？: 12.36
MolLogP？: 5.666600000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|