(2S)-2-[(4S)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
AlkaPlorer ID: AK192410
Synonym: None
IUPAC Name: (2S)-2-[(4S)-4-hydroxycyclohexa-1,5-dien-1-yl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Structure
SMILES: N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC[C@H](O)C=C1
InChI: InChI=1S/C14H19NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,4,6H2/t8-,9-,10-,11-,12+,13-,14-/m1/s1
InChIKey: IBDULJHDLZHBPN-IORQEQIJSA-N
Reference
Phenolic dimers and an indole alkaloid from Campylospermum flavum (Ochnaceae)
PubChem CID: 162988367
LOTUS: LTS0197643
SuperNatural Ⅲ: SN0140946-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Campylospermum flavum | Campylospermum | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.30600000000004
TPSA？: 143.4
MolLogP？: -2.05772
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|