Hynapene B

Details

• Internal ID: be3550d9-36d9-45bd-948e-a15db91e3822
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: (2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
• InChI: InChI=1S/C18H24O3/c1-11-8-12(2)18-14(9-11)10-16(19)13(3)15(18)6-4-5-7-17(20)21/h4-7,11-12,14,18H,8-10H2,1-3H3,(H,20,21)/b6-4+,7-5+
• InChI Key: NLOFDOOJCSGCEJ-YDFGWWAZSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₄O₃
• Molecular Weight: 288.40 g/mol
• Exact Mass: 288.17254462 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 3.60

Synonyms

• 155111-88-9
• 5-(1-Ene-3-oxo-2,6,8-trimethyldecalin)-2,4-pentadienoic acid
• (2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
• 2,4-Pentadienoic acid, 5-(3,4,4a,5,6,7,8,8a-octahydro-2,6,8-trimethyl-3-oxo-1-naphthalenyl)-

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.21%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.74%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.10%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.09%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.14%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.97%	99.23%
CHEMBL340	P08684	Cytochrome P450 3A4	81.58%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6443713
• LOTUS: LTS0059207
• wikiData: Q77499706