3-{[(3-methoxypropyl)amino]methyl}-5,8a-dimethyl-2H,3H,3aH,4H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
AlkaPlorer ID: AK084524
Synonym: None
IUPAC Name: (3S,3aR,8aR,9aR)-3-[(3-methoxypropylamino)methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Structure
SMILES: COCCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21
InChI: InChI=1S/C19H31NO3/c1-13-6-4-7-19(2)11-17-14(10-16(13)19)15(18(21)23-17)12-20-8-5-9-22-3/h14-15,17,20H,4-12H2,1-3H3/t14-,15-,17-,19-/m1/s1
InChIKey: BGKMCMULUPGYJR-FXRXJOCMSA-N
Reference
PubChem CID: 6572835
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 321.46100000000007
TPSA？: 47.56
MolLogP？: 3.070800000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|