Molecule

3-hydroxy-3-methyl-2-[6-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]butyl (9E)-octadec-9-enoate

AlkaPlorer ID: AK072528

Synonym: None

IUPAC Name: [(2R)-3-hydroxy-3-methyl-2-[6-(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(CC=C(C)C)=CC=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)32-27-37-34-26-30(23-22-29(2)3)24-25-31(32)34/h13-14,22,24-27,33,37,39H,6-12,15-21,23,28H2,1-5H3/b14-13-/t33-/m0/s1

InChIKey: BIOWYXSQPYZCCF-AIZOVOQSSA-N

Reference

Constituents of tropical medicinal plants, LXIX. The hexalobines, diprenylated indoles from <i>Hexalobus crispiflorus</i> and <i>Hexalobus monopetalus</i>

PubChem CID: 162999206

LOTUS: LTS0029175

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Isolona maitlandii	Isolona	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