Pacifigorgia-1(6),10-diene

Details

Top
Internal ID e188f603-48f7-4ad0-9ff0-aa380ea31362
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name (1S,4R,5S)-1,5-dimethyl-4-(2-methylprop-1-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
SMILES (Canonical) CC1CCC2=C(C1C=C(C)C)CCC2C
SMILES (Isomeric) C[C@H]1CCC2=C([C@H]1C=C(C)C)CC[C@@H]2C
InChI InChI=1S/C15H24/c1-10(2)9-15-12(4)5-7-13-11(3)6-8-14(13)15/h9,11-12,15H,5-8H2,1-4H3/t11-,12-,15-/m0/s1
InChI Key VGMZAEHYZOQRSK-HUBLWGQQSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.40

Synonyms

Top
VGMZAEHYZOQRSK-HUBLWGQQSA-N

2D Structure

Top
2D Structure of Pacifigorgia-1(6),10-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.73% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.40% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.82% 92.94%
CHEMBL2581 P07339 Cathepsin D 80.96% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.04% 100.00%

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.
Frullania tamarisci

Cross-Links

Top
PubChem 12051852
LOTUS LTS0141313
wikiData Q105285906