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Screening compounds

Comazaphilone E

Also known as rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate, ((6R,7R)-7-hydroxy-7-methyl-8-oxo-3-((E)-prop-1-enyl)-5,6-dihydro-1H-isochromen-6-yl) 3,4-dihydroxy-2-methoxy-6-methylbenzoate, [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate

CAS 1265490-39-8Formula C22H24O8Molar mass 416.43 g/mol
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Comazaphilone E chemical structure, C22H24O8, CAS 1265490-39-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1265490-39-8
Formula
C22H24O8
Molar mass
416.43 g/mol
HS code
293299
Category
Screening compounds

What is Comazaphilone E?

Plain description, key identifiers and synonyms

Comazaphilone E is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities. It has a role as an antibacterial agent, an antineoplastic agent and a Penicillium metabolite. It is a tertiary alpha-hydroxy ketone, a tertiary alcohol, a member of catechols, an aromatic ether, a benzoate ester, a member of isochromenes and an azaphilone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate
CAS number
1265490-39-8
Molecular formula
C22H24O8
InChIKey
VWYGBXGOGQHZHM-JBAXFHHXSA-N
InChI
InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h5-8,16,23-24,27H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1
Canonical SMILES
CC=CC1=CC2=C(CO1)C(=O)C(C)(O)C(OC(=O)c1c(C)cc(O)c(O)c1OC)C2
Isomeric SMILES
C/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)OC(=O)C3=C(C(=C(C=C3C)O)O)OC)(C)O

Synonyms

  • rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
  • ((6R,7R)-7-hydroxy-7-methyl-8-oxo-3-((E)-prop-1-enyl)-5,6-dihydro-1H-isochromen-6-yl) 3,4-dihydroxy-2-methoxy-6-methylbenzoate
  • [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate
  • rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-((1E)-prop-1-en-1-yl)-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
  • (6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
  • [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methyl-benzoate

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
416.43 g/molcalc.
Exact mass
416.1471 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
122.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CC(OC(=O)c2ccccc2)CC2=C1COC=C2

O=C1CC(OC(=O)c2ccccc2)CC2=C1COC=C2

3 rings, 20 atoms.

4 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.

Comazaphilone E suppliers

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Comazaphilone E price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Penicillium metabolite
  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • pharmaceutical

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 Comazaphilone E 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 Comazaphilone E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Comazaphilone E, based on the data on this page

What is Comazaphilone E?

Comazaphilone E is an azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6.

What is the CAS number of Comazaphilone E?

The CAS registry number of Comazaphilone E is 1265490-39-8.

What is the molecular formula and weight of Comazaphilone E?

The molecular formula of Comazaphilone E is C22H24O8 and its molar mass is 416.43 g/mol.

What is Comazaphilone E used for?

Known uses and roles of Comazaphilone E include building blocks in research and laboratory, screening compounds in research and laboratory, penicillium metabolite, antibacterial agent, antimicrobial agent and 5 more.

Is Comazaphilone E hazardous?

No GHS hazard classification for Comazaphilone E 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 Comazaphilone E?

Comazaphilone E 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 Comazaphilone E?

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

What is the price of Comazaphilone E?

Suppliers quote Comazaphilone E 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 Comazaphilone E

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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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