1-Isothiocyanatoaromadendrane
AlkaPlorer ID: AK089659
Synonym: ''
IUPAC Name: (1aS,4S,4aS,7S,7aR,7bS)-4a-isothiocyanato-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Structure
SMILES: C[C@H]1CC[C@@]2(N=C=S)[C@H]1[C@@H]1[C@H](CC[C@@H]2C)C1(C)C
InChI: InChI=1S/C16H25NS/c1-10-7-8-16(17-9-18)11(2)5-6-12-14(13(10)16)15(12,3)4/h10-14H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,16-/m0/s1
InChIKey: JLMIMTUDKQKKJO-GSTZKUONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllidiella pustulosa | Phyllidiella | Phyllidiidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.45
TPSA？: 12.36
MolLogP？: 4.5762000000000045
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|