Molecule

1-[(1S,4S,5S,6R,8S,9S,10R)-6,9-dihydroxy-6,10-dimethyl-9-phenyl-12-azatricyclo[6.3.1.0⁴,¹²]dodecan-5-yl]ethanone

AlkaPlorer ID: AK040255

Synonym: None

IUPAC Name: 1-[(1S,4S,5S,6R,8S,9S,10R)-6,9-dihydroxy-6,10-dimethyl-9-phenyl-12-azatricyclo[6.3.1.04,12]dodecan-5-yl]ethanone

Structure

SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@@H](C)[C@](O)(C4=CC=CC=C4)[C@H](C[C@@]1(C)O)N32

InChI: InChI=1S/C21H29NO3/c1-13-11-16-9-10-17-19(14(2)23)20(3,24)12-18(22(16)17)21(13,25)15-7-5-4-6-8-15/h4-8,13,16-19,24-25H,9-12H2,1-3H3/t13-,16+,17+,18+,19+,20-,21+/m1/s1

InChIKey: DCDDFWOASGCFGZ-JMMKEXGVSA-N

Reference

Studies on Orchidaceae Alkaloids. XX. The Constitution and Relative Configuration of Crepidine, an Alkaloid from Dendrobium crepidatum Lindl.

PubChem CID: 101306730

LOTUS: LTS0148980

SuperNatural Ⅲ: SN0061806-01

NPASS: NPC219408

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dendrobium crepidatum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 343.4670000000001

TPSA？: 60.77

MolLogP？: 2.4755000000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	RAW264.7	Inhibition	10.0	%	10.1021/acs.jnatprod.5b00801
Mus musculus	RAW264.7	Inhibition	nan	%	10.1021/acs.jnatprod.5b00801