Corchoionol C

Details

• Internal ID: 22ffc626-3e34-4a48-a0de-98b208eee906
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (4S)-4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
• SMILES (Canonical): CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
• SMILES (Isomeric): CC1=CC(=O)CC([C@]1(C=CC(C)O)O)(C)C
• InChI: InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/t10?,13-/m1/s1
• InChI Key: KPQMCAKZRXOZLB-JLOHTSLTSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₀O₃
• Molecular Weight: 224.30 g/mol
• Exact Mass: 224.14124450 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 0.50

Synonyms

• Corchoionoside C aglycon
• Blumenol A; Roseoside aglycon;(+)-Blumenol A; (+)-Vomifoliol

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	94.78%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.54%	97.25%
CHEMBL2581	P07339	Cathepsin D	92.33%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	89.19%	94.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.12%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.92%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.66%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	86.35%	91.49%
CHEMBL4208	P20618	Proteasome component C5	85.59%	90.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.99%	90.24%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.29%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.20%	100.00%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	80.17%	96.77%

Plants that contains it

• Annona glabra
• Brucea javanica
• Calanthe discolor
• Calyptocarpus vialis
• Cannabis sativa
• Carpesium macrocephalum
• Centaurea aspera
• Cissus rheifolia
• Coelospermum balansanum
• Crinum firmifolium
• Crotalaria thebaica
• Croton bonplandianus
• Croton chilensis
• Cynanchum bungei
• Cynara cornigera
• Eucalyptus globulus
• Euchresta formosana
• Euphorbia heteradena
• Galium sinaicum
• Goupia glabra
• Helianthus annuus
• Houttuynia cordata
• Hymenoxys hoopesii
• Lawsonia inermis
• Lessingianthus rubricaulis
• Lindera glauca
• Magnolia stellata
• Mantisalca salmantica
• Nageia nagi
• Nicotiana repanda
• Perrottetia multiflora
• Prunus persica
• Prunus spinosa
• Pterocaulon polystachyum
• Salvia virgata
• Sesbania drummondii
• Sida acuta
• Stachys byzantina
• Steiractinia sodiroi
• Tetragonotheca ludoviciana
• Thuja plicata
• Trichosanthes kirilowii
• Typha latifolia
• Urolepis hecatantha
• Viscum album
• Vitis vinifera
• Xanthium strumarium

Cross-Links

• PubChem: 137705650
• LOTUS: LTS0225700
• wikiData: Q104249148