72681-95-9
AlkaPlorer ID: AK070478
Synonym: None
IUPAC Name: [(6S,12S)-12-(hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-6-yl]methanol
Structure
SMILES: OC[C@@H]1CC2=NC3=C(CO[C@H](CO)C3)N=C2CO1
InChI: InChI=1S/C12H16N2O4/c15-3-7-1-9-11(5-17-7)14-12-6-18-8(4-16)2-10(12)13-9/h7-8,15-16H,1-6H2/t7-,8-/m0/s1
InChIKey: VAVQYCCDQASVOI-YUMQZZPRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Palythoa tuberculosa | Palythoa | Sphenopidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 252.27
TPSA？: 84.70000000000002
MolLogP？: -0.6562000000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|