(1E,5Z,7S,10R)-7-methyl-3-methylidene-10-propan-2-ylcyclodeca-1,5-diene

Details

• Internal ID: 6dd81c4f-258b-470f-ba7d-1bd8867f86f9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: (1E,5Z,7S,10R)-7-methyl-3-methylidene-10-propan-2-ylcyclodeca-1,5-diene
• SMILES (Canonical): CC1CCC(C=CC(=C)CC=C1)C(C)C
• SMILES (Isomeric): C[C@H]/1CC[C@@H](/C=C/C(=C)C/C=C1)C(C)C
• InChI: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h5,7-8,10,12,14-15H,3,6,9,11H2,1-2,4H3/b7-5-,10-8+/t14-,15-/m1/s1
• InChI Key: KVMPFZSAJWHCMX-HVCAQQAKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35 g/mol
• Exact Mass: 204.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.40

Synonyms

There are no found synonyms.

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.12%	97.25%
CHEMBL2581	P07339	Cathepsin D	87.07%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.24%	91.11%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	82.57%	86.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.00%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.50%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.30%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.18%	93.56%

Plants that contains it

• Senecio crassissimus
• Vernonanthura fagifolia

Cross-Links

• PubChem: 162992917
• LOTUS: LTS0154844
• wikiData: Q105146617