306776-02-3
AlkaPlorer ID: AK074688
Synonym: '1H-indole-3-carboxylic acid, 1-(1,1-dimethyl-2-propenyl) methyl ester'
IUPAC Name: methyl 1-(2-methylbut-3-en-2-yl)indole-3-carboxylate
Structure
SMILES: C=CC(C)(C)N1C=C(C(=O)OC)C2=CC=CC=C21
InChI: InChI=1S/C15H17NO2/c1-5-15(2,3)16-10-12(14(17)18-4)11-8-6-7-9-13(11)16/h5-10H,1H2,2-4H3
InChIKey: YVHMEMILZVDHEE-UHFFFAOYSA-N
Reference
Indole alkaloids from a culture of the fungus Aporpium caryae
PubChem CID: 11776547
CAS: 306776-02-3
LOTUS: LTS0229838
SuperNatural Ⅲ: SN0461243
COCONUT: CNP0307845
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elmerina caryae | Elmerina | Aporpiaceae | Auriculariales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 243.306
TPSA？: 31.23
MolLogP？: 3.349000000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|