3-[1-methyl-14-(propan-2-yl)-12-azatetracyclo[8.6.0.0²,¹³.0³,?]hexadec-3-en-2-yl]propanoic acid
AlkaPlorer ID: AK056769
Synonym: None
IUPAC Name: 3-(1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl)propanoic acid
Structure
SMILES: CC(C)C1CCC2(C)C3CCC4CCC=C4C2(CCC(=O)O)C1NC3
InChI: InChI=1S/C22H35NO2/c1-14(2)17-9-11-21(3)16-8-7-15-5-4-6-18(15)22(21,12-10-19(24)25)20(17)23-13-16/h6,14-17,20,23H,4-5,7-13H2,1-3H3,(H,24,25)
InChIKey: RVEHXCTUKLDIGQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum paxianum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.52700000000004
TPSA？: 49.33
MolLogP？: 4.628100000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|