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Screening compounds

Sequirin C

Also known as 4-[(E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol, 4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)prop-2-en-1-yl]benzene-1,2-diol, 4-((E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl)benzene-1,2-diol

CAS 18194-29-1Formula C17H18O5Molar mass 302.33 g/mol
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Sequirin C chemical structure, C17H18O5, CAS 18194-29-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18194-29-1
Formula
C17H18O5
Molar mass
302.33 g/mol
HS code
290729
Category
Screening compounds

What is Sequirin C?

Plain description, key identifiers and synonyms

Sequirin C is a norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound. It has a role as a metabolite. It is functionally related to an agatharesinol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
CAS number
18194-29-1
Molecular formula
C17H18O5
InChIKey
UWWISKPOVFKUES-SITIDLGXSA-N
InChI
InChI=1S/C17H18O5/c18-10-17(22)14(12-4-8-15(20)16(21)9-12)7-3-11-1-5-13(19)6-2-11/h1-9,14,17-22H,10H2/b7-3+/t14-,17+/m0/s1
Canonical SMILES
OCC(O)C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1
Isomeric SMILES
C1=CC(=CC=C1/C=C/[C@@H](C2=CC(=C(C=C2)O)O)[C@@H](CO)O)O

Synonyms

  • 4-[(E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
  • 4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)prop-2-en-1-yl]benzene-1,2-diol
  • 4-((E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl)benzene-1,2-diol
  • 4-((1S,2E)-1-((1S)-1,2-dihydroxyethyl)-3-(4-hydroxyphenyl)prop-2-en-1-yl)benzene-1,2-diol
  • sequirin-C
  • 4-[(S,E)-1-[(S)-1,2-Dihydroxyethyl]-3-(4-hydroxyphenyl)-2-propenyl]-1,2-benzenediol
  • 1,2-Benzenediol, 4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)-2-propenyl]-
  • SequirinC
  • 4-[(1E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
  • 4-((3S,4S,E)-4,5-Dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl)benzene-1,2-diol

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
302.33 g/molcalc.
Exact mass
302.1154 Dacalc.
LogP (octanol/water)
1.95calc.
Topological polar surface area
101.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.18calc.
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, C(=Cc1ccccc1)Cc1ccccc1

C(=Cc1ccccc1)Cc1ccccc1

2 rings, 15 atoms, the Benzylstyrene ring system.

162 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.

Sequirin C suppliers

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Sequirin C 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

  • 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 Sequirin C is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Sequirin C, based on the data on this page

What is Sequirin C?

Sequirin C is a norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound. It has a role as a metabolite. It is functionally related to an agatharesinol.

What is the CAS number of Sequirin C?

The CAS registry number of Sequirin C is 18194-29-1.

What is the molecular formula and weight of Sequirin C?

The molecular formula of Sequirin C is C17H18O5 and its molar mass is 302.33 g/mol.

What is Sequirin C used for?

Known uses and roles of Sequirin C include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Sequirin C hazardous?

No GHS hazard classification for Sequirin C 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 Sequirin C?

Sequirin C is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sequirin C?

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

What is the price of Sequirin C?

Suppliers quote Sequirin C 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 Sequirin C

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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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