6,10,10,14,15-Pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol

Details

Top
Internal ID 403826a0-bda6-42ee-80c8-ac46421833f8
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Hopanoids
IUPAC Name 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol
SMILES (Canonical) CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C46CCC5C(=C)CC6O)C)C)C)C
SMILES (Isomeric) CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C46CCC5C(=C)CC6O)C)C)C)C
InChI InChI=1S/C30H48O/c1-19-18-25(31)30-17-10-20(19)21(30)11-15-29(6)24(30)9-8-23-27(4)14-7-13-26(2,3)22(27)12-16-28(23,29)5/h20-25,31H,1,7-18H2,2-6H3
InChI Key SOKBFLQIACLNGG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C30H48O
Molecular Weight 424.70 g/mol
Exact Mass 424.370516150 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 9.10

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 6,10,10,14,15-Pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol

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 94.25% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.69% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.54% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.73% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.81% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.10% 97.09%
CHEMBL1937 Q92769 Histone deacetylase 2 85.27% 94.75%
CHEMBL2581 P07339 Cathepsin D 82.46% 98.95%
CHEMBL206 P03372 Estrogen receptor alpha 82.24% 97.64%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.72% 92.94%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.58% 95.50%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.40% 91.03%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.88% 82.69%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.52% 93.04%

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.
Pyrrosia lingua

Cross-Links

Top
PubChem 73105265
LOTUS LTS0179357
wikiData Q105256983