Molecule

Dendrobine

AlkaPlorer ID: AK030609

Synonym: '', 'Dendrobine'

IUPAC Name: (1S,4S,7S,8R,11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one

Structure

SMILES: CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3CN(C)[C@H]2[C@@]31C

InChI: InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1

InChIKey: RYAHJFGVOCZDEI-UFFNCVEVSA-N

Reference

Fast determination of five components of coumarin, alkaloids and bibenzyls in<i>Dendrobium</i>spp. using pressurized liquid extraction and ultra‐performance liquid chromatography

PubChem CID: 442523

LOTUS: LTS0236464

SuperNatural Ⅲ: SN0338342-08

NPASS: NPC292828

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Callophycus serratus	Callophycus	Solieriaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Corydalis conspersa	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium candidum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium chrysanthum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium findlayanum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligustrum ovalifolium	Ligustrum	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mikania luetzelburgii	Mikania	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium fimbriatum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium nobile	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum euacanthum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium chrysotoxum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gynochthodes parvifolia	Gynochthodes	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pittosporum brevicalyx	Pittosporum	Pittosporaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mespilus germanica	Mespilus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium loddigesii	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 263.381

TPSA？: 29.54

MolLogP？: 2.1603000000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	40000.0	nM	10.1021/acs.jnatprod.7b00150
Homo sapiens	HL-60	IC50	40000.0	nM	10.1021/acs.jnatprod.7b00150
Homo sapiens	MCF7	IC50	40000.0	nM	10.1021/acs.jnatprod.7b00150
Homo sapiens	SMMC-7721	IC50	40000.0	nM	10.1021/acs.jnatprod.7b00150
Homo sapiens	SW480	IC50	40000.0	nM	10.1021/acs.jnatprod.7b00150
Mus musculus	RAW264.7	Activity	nan	None	10.1021/acs.jnatprod.7b00150