Haplosidine
AlkaPlorer ID: AK045548
Synonym: None
IUPAC Name: [(2S,3R,4R,5S,6S)-2-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-5-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
Structure
SMILES: COC1=C2C=CC(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3OC(C)=O)=C(OC)C2=NC2=C1C=CO2
InChI: InChI=1S/C27H33NO14/c1-10-17(31)23(42-26-20(34)19(33)18(32)15(9-29)41-26)24(39-11(2)30)27(38-10)40-14-6-5-12-16(22(14)36-4)28-25-13(7-8-37-25)21(12)35-3/h5-8,10,15,17-20,23-24,26-27,29,31-34H,9H2,1-4H3/t10-,15+,17-,18+,19-,20+,23+,24+,26-,27-/m0/s1
InChIKey: RHOKVADXUJGRSQ-HYUJTPQQSA-N
Reference
Obtusifolin ? A new coumarin from roots of Haplophyllum obtusifolium
PubChem CID: 15599717
LOTUS: LTS0235771
SuperNatural Ⅲ: SN0448684-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum acutifolium | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.5540000000001
TPSA？: 208.86
MolLogP？: -0.4004999999999987
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|