3-hydroxy-3-methyl-2-[5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]butyl (9E)-octadec-9-enoate
AlkaPlorer ID: AK119284
Synonym: None
IUPAC Name: [(2S)-3-hydroxy-3-methyl-2-[5-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] (Z)-octadec-9-enoate
Structure
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](C1=CNC2=CC=C(CC=C(C)C)C=C12)C(C)(C)O
InChI: InChI=1S/C36H57NO3/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)32-27-37-34-25-24-30(26-31(32)34)23-22-29(2)3/h13-14,22,24-27,33,37,39H,6-12,15-21,23,28H2,1-5H3/b14-13-/t33-/m1/s1
InChIKey: QNTOUKXOVPBLRY-BLACGIAASA-N
Reference
New Di-isoprenylated Indole Derivatives from Hexalobus crispiflorus
PubChem CID: 162893964
LOTUS: LTS0049751
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hexalobus crispiflorus | Hexalobus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 551.8560000000002
TPSA？: 62.32000000000001
MolLogP？: 10.111799999999995
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|