Molecule

2-{5-[(3,3-dimethyloxiran-2-yl)methyl]-1H-indol-3-yl}-3-hydroxy-3-methylbutyl hexadecanoate

AlkaPlorer ID: AK121662

Synonym: None

IUPAC Name: [(2S)-2-[5-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-1H-indol-3-yl]-3-hydroxy-3-methylbutyl] hexadecanoate

Structure

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](C1=CNC2=CC=C(C[C@@H]3OC3(C)C)C=C12)C(C)(C)O

InChI: InChI=1S/C34H55NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(36)38-25-29(33(2,3)37)28-24-35-30-21-20-26(22-27(28)30)23-31-34(4,5)39-31/h20-22,24,29,31,35,37H,6-19,23,25H2,1-5H3/t29-,31+/m1/s1

InChIKey: XAXMUUPQRQFKJI-VEEOACQBSA-N

Reference

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

PubChem CID: 10053067

LOTUS: LTS0107396

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hexalobus crispiflorus	Hexalobus	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 541.8170000000003

TPSA？: 74.85000000000001

MolLogP？: 8.766800000000003

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi