3-hydroxy-3-methyl-2-[6-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]butyl (9E,12E)-octadeca-9,12-dienoate
AlkaPlorer ID: AK105351
Synonym: None
IUPAC Name: [(2S)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] (9Z,12Z)-octadeca-9,12-dienoate
Structure
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](C1=CNC2=CC(CC=C(C)C)=CC=C12)C(C)(C)O
InChI: InChI=1S/C36H55NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(38)40-28-33(36(4,5)39)32-27-37-34-26-30(23-22-29(2)3)24-25-31(32)34/h10-11,13-14,22,24-27,33,37,39H,6-9,12,15-21,23,28H2,1-5H3/b11-10-,14-13-/t33-/m1/s1
InChIKey: BQQKCKIBBZWMIK-PUMQNLCOSA-N
Reference
New Di-isoprenylated Indole Derivatives from Hexalobus crispiflorus
PubChem CID: 162911361
LOTUS: LTS0036224
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hexalobus crispiflorus | Hexalobus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 549.8400000000003
TPSA？: 62.32000000000001
MolLogP？: 9.887799999999997
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|