Albacarcin M

Details

• Internal ID: 92b9c551-4837-4bda-9267-29df4ad35a47
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one
• InChI: InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3
• InChI Key: BJPYMDSMDBCKEP-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₂₈O₉
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.17333247 g/mol
• Topological Polar Surface Area (TPSA): 135.00 Ų
• XlogP: 2.50

Synonyms

• Albacarcin M
• 83852-56-6
• MLS002702887
• 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one
• NSC354843
• SMR001566705
• 92934-54-8
• 6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-3-C-methyl-beta-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-
• 83138-96-9
• 1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
• VIRENOMYCIN M
• Neuro_000192
• Albacarcin M; Chrysomycin B
• cid_174343
• CHEMBL1736358
• DTXSID90918862
• BDBM114644
• HB3836
• AKOS040734286
• BS-1212
• NSC-354843
• NCI60_003192
• 1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-3-C-methylhexitol
• 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-2-oxanyl)-6-naphtho[1,2-c][2]benzopyranone
• 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)naphth[1,2-c]isochromen-6-one
• 4-[4,6-dimethyl-3,4,5-tris(oxidanyl)oxan-2-yl]-10,12-dimethoxy-8-methyl-1-oxidanyl-naphtho[1,2-c]isochromen-6-one
• 6H-Benzo[d]naphtho[1, 4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-
• NCGC00380588-01!1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.61%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.45%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.93%	89.00%
CHEMBL2581	P07339	Cathepsin D	94.89%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.93%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.68%	99.23%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.10%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.67%	86.33%
CHEMBL2535	P11166	Glucose transporter	88.41%	98.75%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.56%	92.94%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	84.23%	97.14%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	84.05%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.80%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.08%	94.45%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	82.98%	94.03%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	82.30%	96.00%
CHEMBL4040	P28482	MAP kinase ERK2	81.88%	83.82%
CHEMBL1907	P15144	Aminopeptidase N	81.85%	93.31%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	81.84%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 174343
• LOTUS: LTS0147277
• wikiData: Q82891178