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Screening compounds

Espicufolin

Also known as 2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)-4H-naphtho[2,3-h]chromene-4,7,12-trione, 2-((2R)-butan-2-yl)-11-hydroxy-5-(hydroxymethyl)naphtho(2,3-h)chromene-4,7,12-trione, 2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione

CAS 182232-96-8Formula C22H18O6Molar mass 378.38 g/mol
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Espicufolin chemical structure, C22H18O6, CAS 182232-96-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
182232-96-8
Formula
C22H18O6
Molar mass
378.38 g/mol
HS code
293299
Category
Screening compounds

What is Espicufolin?

Plain description, key identifiers and synonyms

Espicufolin is a naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity. It has a role as a metabolite and an antimicrobial agent. It is a member of benzyl alcohols, a member of p-quinones, a member of phenols and a naphthochromene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione
CAS number
182232-96-8
Molecular formula
C22H18O6
InChIKey
HXAZTNIVBVVFJS-SNVBAGLBSA-N
InChI
InChI=1S/C22H18O6/c1-3-10(2)16-8-15(25)17-11(9-23)7-13-19(22(17)28-16)21(27)18-12(20(13)26)5-4-6-14(18)24/h4-8,10,23-24H,3,9H2,1-2H3/t10-/m1/s1
Canonical SMILES
CCC(C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O
Isomeric SMILES
CC[C@@H](C)C1=CC(=O)C2=C(O1)C3=C(C=C2CO)C(=O)C4=C(C3=O)C(=CC=C4)O

Synonyms

  • 2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)-4H-naphtho[2,3-h]chromene-4,7,12-trione
  • 2-((2R)-butan-2-yl)-11-hydroxy-5-(hydroxymethyl)naphtho(2,3-h)chromene-4,7,12-trione
  • 2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)naphtho[2,3-h]chromene-4,7,12-trione
  • 2-((2R)-butan-2-yl)-11-hydroxy-5-(hydroxymethyl)-4H-naphtho(2,3-h)chromene-4,7,12-trione

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
378.38 g/molcalc.
Exact mass
378.1103 Dacalc.
LogP (octanol/water)
3.28calc.
Topological polar surface area
104.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2ccccc2C(=O)c2c1ccc1c(=O)ccoc21

O=C1c2ccccc2C(=O)c2c1ccc1c(=O)ccoc21

4 rings, 21 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Espicufolin suppliers

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Espicufolin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antimicrobial agent
  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Espicufolin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Espicufolin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Espicufolin, based on the data on this page

What is Espicufolin?

Espicufolin is a naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp.

What is the CAS number of Espicufolin?

The CAS registry number of Espicufolin is 182232-96-8.

What is the molecular formula and weight of Espicufolin?

The molecular formula of Espicufolin is C22H18O6 and its molar mass is 378.38 g/mol.

What is Espicufolin used for?

Known uses and roles of Espicufolin include building blocks in research and laboratory, screening compounds in research and laboratory, antimicrobial agent and metabolite.

Is Espicufolin hazardous?

No GHS hazard classification for Espicufolin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Espicufolin?

Espicufolin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Espicufolin?

Post a free request on CompoundList and suppliers of Espicufolin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Espicufolin?

Suppliers quote Espicufolin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Espicufolin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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