1H-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
AlkaPlorer ID: AK088910
Synonym: None
IUPAC Name: methyl 1-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]indole-3-carboxylate
Structure
SMILES: COC(=O)C1=CN(C(C)(C)[C@H](O)CO)C2=CC=CC=C12
InChI: InChI=1S/C15H19NO4/c1-15(2,13(18)9-17)16-8-11(14(19)20-3)10-6-4-5-7-12(10)16/h4-8,13,17-18H,9H2,1-3H3/t13-/m1/s1
InChIKey: BLYSKLWIPQGBES-CYBMUJFWSA-N
Reference
Indole alkaloids from a culture of the fungus Aporpium caryae
PubChem CID: 10468736
LOTUS: LTS0070813
SuperNatural Ⅲ: SN0029170-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elmerina caryae | Elmerina | Aporpiaceae | Auriculariales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 277.32000000000005
TPSA？: 71.69
MolLogP？: 1.5162
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|