174756-41-3
AlkaPlorer ID: AK065871
Synonym: None
IUPAC Name: [(4aR,5S,6R,8aS)-5-(3-hydroxy-3-methylpent-4-enyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 1H-pyrrole-2-carboxylate
Structure
SMILES: C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(COC(=O)C3=CC=CN3)=CCC[C@H]12
InChI: InChI=1S/C25H37NO3/c1-6-23(3,28)14-15-24(4)18(2)12-13-25(5)19(9-7-11-21(24)25)17-29-22(27)20-10-8-16-26-20/h6,8-10,16,18,21,26,28H,1,7,11-15,17H2,2-5H3/t18-,21-,23?,24+,25-/m1/s1
InChIKey: LHCIWYDYQGMDJO-WWZDUSNRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 399.5750000000001
TPSA？: 62.32
MolLogP？: 5.6676000000000055
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|