(5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]deca-3,9-diene

Details

Top
Internal ID 807c0892-ea0e-4f4b-9e44-5f563f4fb912
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name (5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]deca-3,9-diene
SMILES (Canonical) CC1CCC=C(C12CCC(=C2)C(=C)C)C
SMILES (Isomeric) C[C@@H]1CCC=C([C@@]12CCC(=C2)C(=C)C)C
InChI InChI=1S/C15H22/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,10,13H,1,5,7-9H2,2-4H3/t13-,15+/m1/s1
InChI Key KEVTZKPBXQTBSV-HIFRSBDPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H22
Molecular Weight 202.33 g/mol
Exact Mass 202.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]deca-3,9-diene

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.59% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.16% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.81% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 87.81% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.05% 100.00%
CHEMBL4072 P07858 Cathepsin B 84.64% 93.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.63% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.42% 92.94%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.07% 93.40%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.54% 93.04%
CHEMBL1871 P10275 Androgen Receptor 80.64% 96.43%
CHEMBL4208 P20618 Proteasome component C5 80.36% 90.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Aquilaria malaccensis

Cross-Links

Top
PubChem 11298626
LOTUS LTS0240231
wikiData Q104375346