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Screening compounds

Ilicicolin E

Also known as Cylindrochlorin, 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)benzaldehyde (1S-(1alpha(2E,4E),2beta,6beta))-, beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-

CAS 23887-67-4Formula C23H27ClO4Molar mass 402.92 g/mol
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Ilicicolin E chemical structure, C23H27ClO4, CAS 23887-67-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
23887-67-4
Formula
C23H27ClO4
Molar mass
402.92 g/mol
HS code
291479
Category
Screening compounds

What is Ilicicolin E?

Plain description, key identifiers and synonyms

Ilicicolin E has been reported in Neonectria ditissima.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]penta-2,4-dienyl]benzaldehyde
CAS number
23887-67-4
Molecular formula
C23H27ClO4
InChIKey
ZLAQYJKDQSZARB-FLDGXQSCSA-N
InChI
InChI=1S/C23H27ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6-7,9-12,14,16,27-28H,8H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
Canonical SMILES
CC(C=CC1(C)C(C)C=CC(=O)C1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O
Isomeric SMILES
C[C@@H]1C=CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C

Synonyms

  • Cylindrochlorin
  • 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)benzaldehyde (1S-(1alpha(2E,4E),2beta,6beta))-
  • beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-
  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-, (1S-(1alpha(2E,4E),2beta,6beta))-
  • 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]penta-2,4-dienyl]benzaldehyde
  • 5-chloro-2,4-dihydroxy-6-methyl-3-((2E,4E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl)benzaldehyde

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
402.92 g/molcalc.
Exact mass
402.1598 Dacalc.
LogP (octanol/water)
5.33calc.
Topological polar surface area
74.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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=C1C=CCC(C=CC=CCc2ccccc2)C1

O=C1C=CCC(C=CC=CCc2ccccc2)C1

2 rings, 18 atoms.

1 other chemical 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.

Ilicicolin E suppliers

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Ilicicolin E 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

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 Ilicicolin E is traded under.

HS 2914.79Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives, other

World exports in 2024
$558M
−12.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China41.2%
  2. India * partner reported28.7%
  3. Germany16.7%
Top importers
  1. United States29.1%
  2. Italy9.9%
  3. Switzerland * partner reported8.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ilicicolin E?

Ilicicolin E has been reported in Neonectria ditissima.

What is the CAS number of Ilicicolin E?

The CAS registry number of Ilicicolin E is 23887-67-4.

What is the molecular formula and weight of Ilicicolin E?

The molecular formula of Ilicicolin E is C23H27ClO4 and its molar mass is 402.92 g/mol.

What is Ilicicolin E used for?

Known uses and roles of Ilicicolin E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ilicicolin E hazardous?

No GHS hazard classification for Ilicicolin 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 Ilicicolin E?

Ilicicolin E is usually classified under HS code 291479 (Halogenated, sulphonated, nitrated or nitrosated derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ilicicolin E?

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

What is the price of Ilicicolin E?

Suppliers quote Ilicicolin 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 Ilicicolin 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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