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name Structure Reference Source Properties Activities Metabolism

3-benzyl-1,12-dihydroxy-5-(hydroxymethyl)-4,10,12-trimethyl-11-oxo-3H,3aH,4H,6aH,9H,10H,11H,12H,15H-cycloundeca[d]isoindol-15-yl acetate

AlkaPlorer ID: AK118683

Synonym: None

IUPAC Name: [(1S,2R,3E,5R,7S,9E,11S,14S,15R,16S)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]321

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InChI: InChI=1S/C30H37NO6/c1-18-9-8-12-23-16-22(17-32)19(2)26-24(15-21-10-6-5-7-11-21)31-28(35)30(23,26)25(37-20(3)33)13-14-29(4,36)27(18)34/h5-8,10-14,16,18-19,23-26,32,36H,9,15,17H2,1-4H3,(H,31,35)/b12-8+,14-13+/t18-,19+,23-,24-,25+,26-,29+,30+/m0/s1

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InChIKey: XTNPATOXKYCHLM-FNXBMICLSA-N

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Reference

PubChem CID: 102258993

NPASS: NPC254212

Source

Species Genus Family Order Class Phylum Kingdom Domain
Pistacia chinensis Pistacia Anacardiaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ormosia macrophylla Ormosia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pulicaria insignis Pulicaria Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Beauveria bassiana Beauveria Cordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Nannocystis exedens Nannocystis Nannocystaceae Nannocystales None Myxococcota None Bacteria
Guettarda platypoda Guettarda Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Goniothalamus dolichocarpus Goniothalamus Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Achyrocline tomentosa Achyrocline Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Taxus mairei Taxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Allium angulosum Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helicia nilagirica Helicia Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Seiridium cupressi Seiridium Sporocadaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota
Lobelia inflata Lobelia Campanulaceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Diploprion bifasciatum Diploprion Serranidae Perciformes Actinopteri Chordata Metazoa Eukaryota
Lactarius deliciosus Lactarius Russulaceae Russulales Agaricomycetes Basidiomycota Fungi Eukaryota
Picea jezoensis Picea Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Alhagi maurorum Alhagi Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Osmundaria spiralis Osmundaria Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Erythrophleum chlorostachys Erythrophleum Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phaleria macrocarpa Phaleria Thymelaeaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 507.6270000000002

TPSA？: 116.42

MolLogP？: 3.759000000000002

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information