Molecule

UNPD109577

AlkaPlorer ID: AK094462

Synonym: None

IUPAC Name: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytetracosanamide

Structure

SMILES: CCCCCCC/C=C\CCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(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/h16,25,39-46,48,50-56H,3-15,17-24,26-38H2,1-2H3,(H,49,57)/b25-16-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1

InChIKey: HUHVDCYMYIXOIN-VOTJRPDESA-N

Reference

A new cerebroside from<i>Gynura divaricata</i>

PubChem CID: 162983115

LOTUS: LTS0152671

SuperNatural Ⅲ: SN0135640-01

NPASS: NPC237711

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Berberis valdiviana	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euterpe precatoria	Euterpe	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diuranthera major	Diuranthera	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fabiana densa	Fabiana	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cocos nucifera	Cocos	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leucopaxillus tricolor	Leucopaxillus	Tricholomataceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 844.2689999999988

TPSA？: 192.66

MolLogP？: 9.2899

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi