(5R)-1-[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pyrrolidin-2-one
AlkaPlorer ID: AK240530
Synonym: None
IUPAC Name: (5R)-1-[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrrolidin-2-one
Structure
SMILES: COC1=C(N2C(=O)CC[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](O)(CO)CC1=O
InChI: InChI=1S/C19H29NO11/c1-29-17-10(4-19(28,8-22)5-11(17)23)20-9(2-3-13(20)24)7-30-18-16(27)15(26)14(25)12(6-21)31-18/h9,12,14-16,18,21-22,25-28H,2-8H2,1H3/t9-,12-,14-,15+,16-,18-,19+/m1/s1
InChIKey: HUWTZBOJJBRSIK-JSWWDMIRSA-N
Reference
Mycosporins from Ascochyta pisi, Cladosporium herbarum and Septoria nodorum
PubChem CID: 162855320
LOTUS: LTS0174329
SuperNatural Ⅲ: SN0136116-01
NPASS: NPC64623
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Biancaea sappan | Biancaea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 447.4370000000002
TPSA？: 186.45
MolLogP？: -3.2617999999999965
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|