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(hexahydro-1H-pyrrolizin-1-yl)methyl 3-(3-hydroxy-3-methylbutyl)-5-(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]benzoate

AlkaPlorer ID: AK258138

Synonym: None

IUPAC Name: [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-(3-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxybenzoate

Structure

SMILES: CC(C)=CCC1=CC(C(=O)OC[C@H]2CCN3CCC[C@@H]23)=CC(CCC(C)(C)O)=C1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C30H45NO8/c1-18(2)7-8-19-14-22(28(35)37-16-21-10-13-31-12-5-6-23(21)31)15-20(9-11-30(3,4)36)27(19)39-29-26(34)25(33)24(32)17-38-29/h7,14-15,21,23-26,29,32-34,36H,5-6,8-13,16-17H2,1-4H3/t21-,23+,24+,25+,26-,29+/m1/s1

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InChIKey: RJSMUSWHEJNUGS-UGGHXRRZSA-N

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Reference

PubChem CID: 72698099

NPASS: NPC205252

Source

Species Genus Family Order Class Phylum Kingdom Domain
Alnus alnobetula Alnus Betulaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Staehelina dubia Staehelina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cornus florida Cornus Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Litsea wightiana Litsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cousinia piptocephala Cousinia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tetraneuris linearifolia Tetraneuris Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Teucrium corymbosum Teucrium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Swartzia laevicarpa Swartzia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vespertilio sinensis Vespertilio Vespertilionidae Chiroptera Mammalia Chordata Metazoa Eukaryota
Streptomyces natalensis Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Suriana maritima Suriana Surianaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cirsium lineare Cirsium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Liparis nervosa Liparis Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bencomia caudata Bencomia Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypericum yezoense Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 547.6890000000004

TPSA？: 128.92000000000002

MolLogP？: 2.357700000000001

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information