(4R)-4-{[(5R)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohex-1-en-1-yl]amino}-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoic acid
AlkaPlorer ID: AK140136
Synonym: None
IUPAC Name: (4R)-4-[[(5R)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
Structure
SMILES: COC1=C(N[C@H](CCC(=O)O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@](O)(CO)CC1=O
InChI: InChI=1S/C19H31NO12/c1-30-17-10(4-19(29,8-22)5-11(17)23)20-9(2-3-13(24)25)7-31-18-16(28)15(27)14(26)12(6-21)32-18/h9,12,14-16,18,20-22,26-29H,2-8H2,1H3,(H,24,25)/t9-,12-,14-,15+,16-,18-,19-/m1/s1
InChIKey: LELNPYJXQDAQQF-XJXGYPLNSA-N
Reference
Mycosporins from Ascochyta pisi, Cladosporium herbarum and Septoria nodorum
PubChem CID: 163020472
LOTUS: LTS0274186
SuperNatural Ⅲ: SN0203226-01
NPASS: NPC87268
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Biancaea sappan | Biancaea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.4520000000002
TPSA？: 215.47
MolLogP？: -3.4297999999999966
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|