Simmondsin; Di-O-de-Me, 2-E-cinnamoyl, 4-benzoyl
AlkaPlorer ID: AK313547
Synonym: Lophiroside B2
IUPAC Name: None
Structure
SMILES: N#C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)C2=CC=CC=C2)C(O)C1OC(=O)/C=C\C1=CC=CC=C1
InChI: InChI=1S/C30H31NO11/c31-14-13-19-20(40-30-27(37)26(36)24(34)22(16-32)41-30)15-21(39-29(38)18-9-5-2-6-10-18)25(35)28(19)42-23(33)12-11-17-7-3-1-4-8-17/h1-13,20-22,24-28,30,32,34-37H,15-16H2/b12-11-,19-13-
InChIKey: IGNLFRDPRQBHRJ-WKGBTNIZSA-N
Reference
CAS: 151171-83-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophira alata | Lophira | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 581.5740000000003
TPSA？: 196.0
MolLogP？: 0.2368799999999995
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|