Fulvinol

Details

• Internal ID: 6a1f05df-446e-495d-a57b-84cc1946e27b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (4E,11Z,23Z,35Z,42E)-hexatetraconta-4,11,23,35,42-pentaen-1,45-diyne-3,44-diol
• SMILES (Canonical): C#CC(C=CCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCC=CC(C#C)O)O
• SMILES (Isomeric): C#CC(O)/C=C/CCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCCCC/C=C\CCCCC/C=C/C(O)C#C
• InChI: InChI=1S/C46H76O2/c1-3-45(47)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(48)4-2/h1-2,5-6,27-30,41-48H,7-26,31-40H2/b6-5-,29-27-,30-28-,43-41+,44-42+
• InChI Key: LSZVKRVJNYXNBC-SYNPXZKCSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₆H₇₆O₂
• Molecular Weight: 661.10 g/mol
• Exact Mass: 660.58453166 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 16.60

Synonyms

• 183961-38-8
• 4,11,23,35,42-Hexatetracontapentaene-1,45-diyne-3,44-diol, (3S,4E,11Z,23Z,35Z,42E,44S)-
• 4,11,23,35,42-Hexatetracontapentaene-1,45-diyne-3,44-diol, (S-(R*,R*-(4E,11Z,23Z,35Z,42E)))-

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
CHEMBL3060	Q9Y345	Glycine transporter 2	91.23%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.03%	91.11%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	90.46%	92.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.92%	96.09%
CHEMBL2581	P07339	Cathepsin D	85.04%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.56%	97.29%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.63%	97.21%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	81.10%	95.58%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44152361
• LOTUS: LTS0066214
• wikiData: Q105156866