(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienal

Details

• Internal ID: ebe0f5f4-48a9-4fc7-a420-34e5d51a3689
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienal
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C=O)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C=O)C
• InChI: InChI=1S/C20H32O2/c1-17(2)8-5-12-20(16-22)13-7-11-18(3)9-6-10-19(4)14-15-21/h8-9,13-14,16,21H,5-7,10-12,15H2,1-4H3/b18-9+,19-14+,20-13-
• InChI Key: BVHBRLCYRXLBJQ-BBSKQTOHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.20

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.53%	92.08%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	84.39%	91.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.88%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	82.50%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.34%	89.34%

Plants that contains it

• Calocedrus formosana
• Croton kerrii

Cross-Links

• PubChem: 12167176
• LOTUS: LTS0101475
• wikiData: Q104946550