Glomeremophilane A

Details

• Internal ID: 6a8a517d-eee4-42c7-b472-34cde1b04eb4
• Taxonomy: Benzenoids > Naphthalenes
• IUPAC Name: 7-hydroxy-6-[(2S)-4-hydroxy-3-oxobutan-2-yl]-4,4-dimethylnaphthalen-1-one
• SMILES (Canonical): CC(C1=C(C=C2C(=O)C=CC(C2=C1)(C)C)O)C(=O)CO
• SMILES (Isomeric): C[C@@H](C1=C(C=C2C(=O)C=CC(C2=C1)(C)C)O)C(=O)CO
• InChI: InChI=1S/C16H18O4/c1-9(15(20)8-17)10-6-12-11(7-14(10)19)13(18)4-5-16(12,2)3/h4-7,9,17,19H,8H2,1-3H3/t9-/m0/s1
• InChI Key: FNOYSNODSRJEHA-VIFPVBQESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₄
• Molecular Weight: 274.31 g/mol
• Exact Mass: 274.12050905 g/mol
• Topological Polar Surface Area (TPSA): 74.60 Ų
• XlogP: 2.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.95%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.16%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	92.84%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.41%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.13%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.21%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.47%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.98%	99.15%
CHEMBL4208	P20618	Proteasome component C5	85.57%	90.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.49%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.59%	94.45%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.59%	96.77%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.25%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589800
• LOTUS: LTS0175534
• wikiData: Q104998426