1(10)E,5E-Germacradien-11-ol

Details

• Internal ID: 762e843e-48cc-4745-984d-3599dfd6311c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 2-[(1R,2E,4R,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
• SMILES (Canonical): CC1CCC=C(CCC(C=C1)C(C)(C)O)C
• SMILES (Isomeric): C[C@@H]\1CC/C=C(/CC[C@H](/C=C1)C(C)(C)O)\C
• InChI: InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14-/m1/s1
• InChI Key: ZVZPKUXZGROCDB-ZFQZWWLUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.60

Synonyms

• 1(10)E,5E-Germacradien-11-ol

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	98.05%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.68%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.99%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.05%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.73%	92.94%
CHEMBL1871	P10275	Androgen Receptor	83.00%	96.43%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.91%	90.93%
CHEMBL2581	P07339	Cathepsin D	82.50%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.90%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.74%	100.00%

Plants that contains it

• Ferula communis
• Psidium guajava

Cross-Links

• PubChem: 10609095
• LOTUS: LTS0206499
• wikiData: Q105384774