Cryptostrobin

Details

• Internal ID: dd818a59-4a83-4a7b-91c4-822ec1fc8283
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: 5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3
• SMILES (Isomeric): CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=CC=C3
• InChI: InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3
• InChI Key: QSRIZZQWNHKERT-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₄
• Molecular Weight: 270.28 g/mol
• Exact Mass: 270.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.10

Synonyms

• SCHEMBL663034
• MEGxp0_000559
• ACon1_000558
• 8-c-methyl-5,7-dihydroxyflavanone
• LMPK12140190
• NCGC00168964-01
• 5,7-dihydroxy-8-methyl-2-phenyl-chroman-4-one
• BRD-A88191243-001-01-4
• 5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.07%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.44%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.16%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.84%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.79%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.64%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	85.05%	94.73%
CHEMBL1951	P21397	Monoamine oxidase A	83.74%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.71%	99.15%

Plants that contains it

• Ceratiola ericoides
• Kunzea ambigua
• Pinus parviflora
• Pinus strobus
• Syzygium nervosum
• Syzygium samarangense
• Thelypteris palustris

Cross-Links

• PubChem: 15953986
• LOTUS: LTS0111132
• wikiData: Q105227270