Simmondsin; Di-O-de-Me, 2,4-dibenzoyl
AlkaPlorer ID: AK313549
Synonym: Lophiroside A2
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)C1=CC=CC=C1
InChI: InChI=1S/C28H29NO11/c29-12-11-17-18(38-28-24(34)23(33)21(31)20(14-30)39-28)13-19(37-26(35)15-7-3-1-4-8-15)22(32)25(17)40-27(36)16-9-5-2-6-10-16/h1-11,18-25,28,30-34H,13-14H2/b17-11-
InChIKey: WMCANZNIBCHBEF-BOPFTXTBSA-N
Reference
CAS: 151171-81-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophira alata | Lophira | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 555.5360000000003
TPSA？: 196.0
MolLogP？: -0.1627200000000002
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|