Simmondsin; Di-O-de-Me, 2-benzoyl
AlkaPlorer ID: AK313544
Synonym: Lanceolin A
IUPAC Name: None
Structure
SMILES: N#C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(O)C1OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)15(25)19(11)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2/b11-6-
InChIKey: QGZABFFHLXRLGE-WDZFZDKYSA-N
Reference
CAS: 158022-45-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophira lanceolata | Lophira | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.42800000000017
TPSA？: 189.93
MolLogP？: -2.0274199999999976
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|