Molecule

Regelidine

AlkaPlorer ID: AK041070

Synonym: None

IUPAC Name: [(1S,2S,5S,6S,7S,9R,12R)-5,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate

Structure

SMILES: CC1(C)O[C@]23[C@H](OC(=O)C4=CC=CN=C4)[C@H]1C[C@H](OC(=O)C1=CC=CC=C1)[C@]2(C)[C@@H](OC(=O)C1=CC=CC=C1)CC[C@]3(C)O

InChI: InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m1/s1

InChIKey: MZSHQEJWMYSZEP-IMIUDZSCSA-N

Reference

Dihydroagarofuran Derivatives from the Dried Roots of <i>Tripterygium wilfordii</i>

PubChem CID: 13968328

LOTUS: LTS0028462

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tripterygium hypoglaucum	Tripterygium	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 599.6800000000002

TPSA？: 121.25

MolLogP？: 5.176800000000006

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Human alphaherpesvirus 2	Human alphaherpesvirus 2	Inhibition	31.7	%	10.1021/np200493t