1,2,5-trimethyl-4-(2-methyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecanoyl)-2,3-dihydro-1H-pyrrol-3-one

AlkaPlorer ID: AK134693

Synonym: None

IUPAC Name: (2S)-1,2,5-trimethyl-4-[(2S)-2-methyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]-2H-pyrrol-3-one

Structure

SMILES: CC1=C(C(=O)[C@@H](C)CCCCCCCCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)[C@H](C)N1C

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InChI: InChI=1S/C30H53NO8/c1-20(25(33)24-21(2)31(4)22(3)26(24)34)17-15-13-11-9-7-5-6-8-10-12-14-16-18-38-30-29(37)28(36)27(35)23(19-32)39-30/h20,22-23,27-30,32,35-37H,5-19H2,1-4H3/t20-,22-,23+,27+,28-,29+,30+/m0/s1

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InChIKey: TZLFGPZAGYEXAS-IMQJRXMUSA-N

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Reference

PubChem CID: 163014600

NPASS: NPC75384

Source

Species Genus Family Order Class Phylum Kingdom Domain
Rheum tanguticum Rheum Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Symploca hydnoides Symploca Microcoleaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria
Codium decorticatum Codium Codiaceae Bryopsidales Ulvophyceae Chlorophyta Viridiplantae Eukaryota
Citrus glauca Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Baccharis megapotamica Baccharis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cryptotermes cynocephalus Cryptotermes Kalotermitidae Blattodea Insecta Arthropoda Metazoa Eukaryota
Orthosphenia mexicana Orthosphenia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Haplophyllum dauricum Haplophyllum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Thuja standishii Thuja Cupressaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Critonia quadrangularis Critonia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhinoceros sondaicus Rhinoceros Rhinocerotidae Perissodactyla Mammalia Chordata Metazoa Eukaryota
Ficus simplicissima Ficus Moraceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Quercus dentata Quercus Fagaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Amanita cokeri Amanita Amanitaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Swinglea glutinosa Swinglea Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Theobroma cacao Theobroma Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Asteriscus graveolens Asteriscus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Marrubium supinum Marrubium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum sachalinense Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salmonella enterica Salmonella Enterobacteriaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Oxyanthus speciosus Oxyanthus Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Styrax perkinsiae Styrax Styracaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Strychnos tabascana Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces xantholiticus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Senecio latifolius Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ceratozamia fuscoviridis Ceratozamia Zamiaceae Cycadales Cycadopsida Streptophyta Viridiplantae Eukaryota
Solanum elaeagnifolium Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bombus muscorum Bombus Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Centrosema pascuorum Centrosema Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Flemingia congesta Flemingia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 555.753

TPSA: 136.76000000000002

MolLogP: 3.256400000000001

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information