Floricolin H

Details

• Internal ID: 0167ee18-608a-4cb3-af39-e1a255e58199
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Dibenzopyrans
• IUPAC Name: 3-phenyl-6H-benzo[c]chromene-1,4-diol
• InChI: InChI=1S/C19H14O3/c20-16-10-15(12-6-2-1-3-7-12)18(21)19-17(16)14-9-5-4-8-13(14)11-22-19/h1-10,20-21H,11H2
• InChI Key: NZXXHBCJBDXGSJ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₄O₃
• Molecular Weight: 290.30 g/mol
• Exact Mass: 290.094294304 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 4.00
• Atomic LogP (AlogP): 4.32
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Rotatable Bonds: 1

Synonyms

• CHEMBL3937892

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9681	96.81%
Caco-2	-	0.5136	51.36%
Blood Brain Barrier	-	0.6250	62.50%
Human oral bioavailability	+	0.6000	60.00%
Subcellular localzation	Mitochondria	0.8053	80.53%
OATP2B1 inhibitior	-	0.7213	72.13%
OATP1B1 inhibitior	+	0.9114	91.14%
OATP1B3 inhibitior	+	0.9391	93.91%
MATE1 inhibitior	-	0.9200	92.00%
OCT2 inhibitior	-	0.9000	90.00%
BSEP inhibitior	+	0.6500	65.00%
P-glycoprotein inhibitior	-	0.7681	76.81%
P-glycoprotein substrate	-	0.8829	88.29%
CYP3A4 substrate	-	0.5660	56.60%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	+	0.4944	49.44%
CYP3A4 inhibition	-	0.9308	93.08%
CYP2C9 inhibition	+	0.9016	90.16%
CYP2C19 inhibition	+	0.8214	82.14%
CYP2D6 inhibition	-	0.8224	82.24%
CYP1A2 inhibition	+	0.7952	79.52%
CYP2C8 inhibition	-	0.5573	55.73%
CYP inhibitory promiscuity	+	0.7458	74.58%
UGT catelyzed	+	0.6000	60.00%
Carcinogenicity (binary)	-	0.9700	97.00%
Carcinogenicity (trinary)	Non-required	0.5411	54.11%
Eye corrosion	-	0.9893	98.93%
Eye irritation	+	0.8785	87.85%
Skin irritation	+	0.5000	50.00%
Skin corrosion	-	0.9574	95.74%
Ames mutagenesis	+	0.5746	57.46%
Human Ether-a-go-go-Related Gene inhibition	-	0.3621	36.21%
Micronuclear	+	0.7300	73.00%
Hepatotoxicity	+	0.6000	60.00%
skin sensitisation	-	0.8765	87.65%
Respiratory toxicity	+	0.6778	67.78%
Reproductive toxicity	+	0.7111	71.11%
Mitochondrial toxicity	-	0.5625	56.25%
Nephrotoxicity	-	0.7168	71.68%
Acute Oral Toxicity (c)	II	0.4169	41.69%
Estrogen receptor binding	+	0.9260	92.60%
Androgen receptor binding	+	0.6088	60.88%
Thyroid receptor binding	+	0.7354	73.54%
Glucocorticoid receptor binding	+	0.7001	70.01%
Aromatase binding	+	0.7834	78.34%
PPAR gamma	+	0.7633	76.33%
Honey bee toxicity	-	0.9395	93.95%
Biodegradation	-	0.8750	87.50%
Crustacea aquatic toxicity	+	0.6400	64.00%
Fish aquatic toxicity	+	0.8486	84.86%

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	99.12%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	98.20%	91.49%
CHEMBL2581	P07339	Cathepsin D	94.93%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.63%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.62%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.54%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.36%	89.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	84.35%	95.64%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.31%	91.71%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	82.89%	98.21%
CHEMBL5805	Q9NR97	Toll-like receptor 8	81.32%	96.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.70%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132524300
• LOTUS: LTS0013203
• wikiData: Q104193169