Granulolactone

Details

• Internal ID: a51fc6e2-bf58-4257-b3a5-b890ac2ca25c
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
• IUPAC Name: 5,7,7-trimethyl-3,4,6,8-tetrahydrocyclopenta[g]isochromen-1-one
• SMILES (Canonical): CC1=C2CC(CC2=CC3=C1CCOC3=O)(C)C
• SMILES (Isomeric): CC1=C2CC(CC2=CC3=C1CCOC3=O)(C)C
• InChI: InChI=1S/C15H18O2/c1-9-11-4-5-17-14(16)12(11)6-10-7-15(2,3)8-13(9)10/h6H,4-5,7-8H2,1-3H3
• InChI Key: YUBXLDJKZOHDNI-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.30 g/mol
• Exact Mass: 230.130679813 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.70

Synonyms

• BS-1522

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
CHEMBL2581	P07339	Cathepsin D	95.19%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	94.46%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.57%	95.56%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	92.15%	96.77%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.97%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.63%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	88.87%	91.49%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	84.96%	96.21%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.50%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.84%	100.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.38%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.27%	94.00%
CHEMBL2535	P11166	Glucose transporter	81.53%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132521561
• LOTUS: LTS0129524
• wikiData: Q105256702