18-Demethylgardneramine
AlkaPlorer ID: AK318536
Synonym: None
IUPAC Name: (2Z)-2-[(1R,12S,13S,17R,19S)-3,4,6-trimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraen-16-ylidene]ethanol
Structure
SMILES: COC1=C2N=C3OC[C@H]4[C@H]5C[C@@H]6N(C/C5=C\CO)[C@H]4C[C@]36C2=C(OC)C(OC)=C1
InChI: InChI=1S/C22H26N2O5/c1-26-15-7-16(27-2)20(28-3)18-19(15)23-21-22(18)8-14-13(10-29-21)12-6-17(22)24(14)9-11(12)4-5-25/h4,7,12-14,17,25H,5-6,8-10H2,1-3H3/b11-4+/t12-,13-,14-,17-,22-/m0/s1
InChIKey: SGRASRCZUGHSHN-HTEZAAIQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4590000000002
TPSA？: 72.75000000000001
MolLogP？: 2.0353
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|