Molecule

UNPD169842

AlkaPlorer ID: AK024413

Synonym: None

IUPAC Name: (2R)-N-[(Z,2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide

Structure

SMILES: CCCCCCCCC/C=C\CCC[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

InChI: InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b29-27-/t39-,40-,41-,42-,43+,44-,45+,46-,48-/m1/s1

InChIKey: QZNIVVAKPLIDJX-IBVWZRLASA-N

Reference

Phenolic glycosides from Kaempferia parviflora

PubChem CID: 162966161

LOTUS: LTS0015922

SuperNatural Ⅲ: SN0319416-04

NPASS: NPC254133

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ostrya carpinifolia	Ostrya	Betulaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum variegatum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Triumfetta cordifolia	Triumfetta	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ramalina dilacerata	Ramalina	Ramalinaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Fadogia agrestis	Fadogia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania dielsiana	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arthraxon hispidus	Arthraxon	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligusticum scoticum	Ligusticum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fomes fomentarius	Fomes	Polyporaceae	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Dianthus superbus	Dianthus	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 844.2689999999988

TPSA？: 189.17

MolLogP？: 8.449600000000006

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi