Oncostemonol H

Details

• Internal ID: 30f2debc-5c60-4599-9028-99eae232bc51
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 5-[(Z)-18-(3,5-dihydroxyphenyl)octadec-10-enyl]benzene-1,3-diol
• SMILES (Canonical): C1=C(C=C(C=C1O)O)CCCCCCCCCC=CCCCCCCCC2=CC(=CC(=C2)O)O
• SMILES (Isomeric): C1=C(C=C(C=C1O)O)CCCCCCCCC/C=C\CCCCCCCC2=CC(=CC(=C2)O)O
• InChI: InChI=1S/C30H44O4/c31-27-19-25(20-28(32)23-27)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26-21-29(33)24-30(34)22-26/h1,3,19-24,31-34H,2,4-18H2/b3-1-
• InChI Key: HEUMTUNIHICGHL-IWQZZHSRSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₄O₄
• Molecular Weight: 468.70 g/mol
• Exact Mass: 468.32395988 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 10.50

Synonyms

• CHEMBL465259

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.75%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.45%	99.17%
CHEMBL2581	P07339	Cathepsin D	91.10%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.56%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	83.36%	94.73%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	82.09%	83.57%
CHEMBL233	P35372	Mu opioid receptor	81.44%	97.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.43%	86.33%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	81.22%	92.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10322409
• LOTUS: LTS0055450
• wikiData: Q105027050