(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol

Details

• Internal ID: a8c4d6be-bd55-4784-a76e-863b29ad036b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: (1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
• SMILES (Canonical): CC1=CC(CC(=C)CC(C(CC1)C(C)C)O)O
• SMILES (Isomeric): C/C/1=C\[C@@H](CC(=C)C[C@@H]([C@@H](CC1)C(C)C)O)O
• InChI: InChI=1S/C15H26O2/c1-10(2)14-6-5-11(3)7-13(16)8-12(4)9-15(14)17/h7,10,13-17H,4-6,8-9H2,1-3H3/b11-7+/t13-,14-,15-/m0/s1
• InChI Key: AQEMBMAEIOQGCX-NQDLHCNUSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.50

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
CHEMBL2581	P07339	Cathepsin D	92.52%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.85%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.97%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	87.18%	97.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.72%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.67%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.64%	93.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.04%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.63%	97.09%

Plants that contains it

• Salvia pubescens
• Santolina insularis

Cross-Links

• PubChem: 163190020
• LOTUS: LTS0084551
• wikiData: Q104915165