Artemorin

Details

• Internal ID: 89b1414f-c1a1-468f-962a-a67d25178d51
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: (3aS,7R,10E,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
• SMILES (Canonical): CC1=CC2C(CCC(=C)C(CC1)O)C(=C)C(=O)O2
• SMILES (Isomeric): C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2
• InChI: InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1
• InChI Key: JNHKVMWTQCZYHK-CVZWCJCVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.00

Synonyms

• 64845-92-7
• (7R,10E)-7-hydroxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one
• C09345
• CHEBI:2853
• SCHEMBL10307302
• SCHEMBL22645250
• DTXSID501107545
• AKOS040734591
• (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
• Q27105850

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.51%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.54%	91.11%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	87.66%	93.03%
CHEMBL2581	P07339	Cathepsin D	86.39%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.46%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.64%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.97%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.06%	89.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.32%	95.89%

Plants that contains it

• Achillea micrantha
• Artemisia annua
• Artemisia gmelinii
• Artemisia ludoviciana
• Artemisia schmidtiana
• Artemisia umbelliformis
• Artemisia verlotiorum
• Eriocephalus kingesii
• Laurus nobilis
• Magnolia grandiflora
• Seriphidium turcomanicum
• Tanacetum parthenium
• Tanacetum vulgare

Cross-Links

• PubChem: 5281428
• LOTUS: LTS0070726
• wikiData: Q27105850