6-hydroxy-4,5,6-trimethyl-2-oxa-13-azatricyclo[8.5.1.0¹³,¹?]hexadecane-3,7-dione
AlkaPlorer ID: AK102496
Synonym: None
IUPAC Name: None
Structure
SMILES: C[C@H]1C(=O)O[C@@H]2CC[NH+]3CC[C@H](CCC(=O)[C@](C)(O)[C@H]1C)[C@H]23
InChI: InChI=1S/C17H27NO4/c1-10-11(2)17(3,21)14(19)5-4-12-6-8-18-9-7-13(15(12)18)22-16(10)20/h10-13,15,21H,4-9H2,1-3H3/p+1/t10-,11+,12+,13-,15-,17-/m1/s1
InChIKey: QJTOWSFQNUSLGJ-YKYDQZLLSA-O
Reference
NPASS: NPC166923
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agastache rugosa | Agastache | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.414
TPSA？: 68.04
MolLogP？: -0.0385999999999986
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|