PlantaeDB Logo
Login Sign-up

(+)-aspersclerolide D

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID f3ac3bf1-4088-41c4-8b62-c07811b0903f
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
IUPAC Name (2S,3R)-7-hydroxy-4'-methoxy-3,5-dimethylspiro[3,4-dihydrochromene-2,5'-furan]-2'-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H16O5/c1-8-4-10(16)6-12-11(8)5-9(2)15(19-12)13(18-3)7-14(17)20-15/h4,6-7,9,16H,5H2,1-3H3/t9-,15+/m1/s1
InChI Key XWMWNVWBHJDLED-PSLIRLAXSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H16O5
Molecular Weight 276.28 g/mol
Exact Mass 276.09977361 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.40

Synonyms

Top
(2S,3R)-7-hydroxy-4'-methoxy-3,5-dimethylspiro(3,4-dihydrochromene-2,5'-furan)-2'-one
(2S,3R)-7-hydroxy-4'-methoxy-3,5-dimethylspiro[3,4-dihydrochromene-2,5'-furan]-2'-one
RefChem:67280
CHEBI:206122
(2S,3R)-7-hydroxy-4'-methoxy-3,5-dimethylspiro[3,4-dihydrochromene-2,5'-uran]-2'-one

2D Structure

Top
2D Structure of (+)-aspersclerolide D

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 99.15% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.38% 85.14%
CHEMBL2581 P07339 Cathepsin D 93.25% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.67% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.87% 96.09%
CHEMBL4208 P20618 Proteasome component C5 88.99% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.35% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.56% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.26% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.20% 94.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.14% 92.94%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 85.61% 82.38%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.44% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.16% 94.45%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 85.11% 94.80%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.01% 93.40%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.73% 86.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.41% 95.89%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 146682632
LOTUS LTS0125728
wikiData Q105343618