CompoundList
Sign in
Screening compounds

Caffeoyltryptophan

Also known as N-Caffeoyltryptophan, 2-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido)-3-(1H-indol-3-yl)propanoic acid, (2S)-2-(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)amino)-3-(1H-indol-3-yl)propanoic acid

CAS 109163-69-1Formula C20H18N2O5Molar mass 366.37 g/mol
1 supplier listed
Get quotes See the supplier
Caffeoyltryptophan chemical structure, C20H18N2O5, CAS 109163-69-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109163-69-1
Formula
C20H18N2O5
Molar mass
366.37 g/mol
HS code
293399
Category
Screening compounds

What is Caffeoyltryptophan?

Plain description, key identifiers and synonyms

Caffeoyltryptophan has been reported in Athyrium filix-femina and Coffea canephora.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS number
109163-69-1
Molecular formula
C20H18N2O5
UNII
D9G5AEW898
InChIKey
XITPERBRJNUFSB-BVBGJJFLSA-N
InChI
InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+/t16-/m0/s1
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)NC(Cc1c[nH]c2ccccc12)C(=O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O

Synonyms

  • N-Caffeoyltryptophan
  • 2-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido)-3-(1H-indol-3-yl)propanoic acid
  • (2S)-2-(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)amino)-3-(1H-indol-3-yl)propanoic acid
  • L-Tryptophan, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
  • caffeoyl tryptophan
  • trans-Caffeoyl-L-tryptophan
  • L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
  • (2S)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(1H-indol-3-yl)propanoic acid
  • N-(E)-Caffeoyl-lambda-tryptophan
  • N-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]-L-tryptophan
  • N-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-L-tryptophan
  • L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-, (E)-

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
366.37 g/molcalc.
Exact mass
366.1216 Dacalc.
LogP (octanol/water)
2.4calc.
Topological polar surface area
122.7 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.1calc.
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=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc12

O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc12

3 rings, 22 atoms, the MS-6408 ring system.

49 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.

Caffeoyltryptophan suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

See the supplier

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Caffeoyltryptophan price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Caffeoyltryptophan is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Caffeoyltryptophan?

Caffeoyltryptophan has been reported in Athyrium filix-femina and Coffea canephora.

What is the CAS number of Caffeoyltryptophan?

The CAS registry number of Caffeoyltryptophan is 109163-69-1.

What is the molecular formula and weight of Caffeoyltryptophan?

The molecular formula of Caffeoyltryptophan is C20H18N2O5 and its molar mass is 366.37 g/mol.

What is Caffeoyltryptophan used for?

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

Is Caffeoyltryptophan hazardous?

No GHS hazard classification for Caffeoyltryptophan 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 Caffeoyltryptophan?

Caffeoyltryptophan is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Caffeoyltryptophan?

CompoundList lists 1 supplier of Caffeoyltryptophan in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Caffeoyltryptophan?

Suppliers quote Caffeoyltryptophan 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 Caffeoyltryptophan

Get quotes for Caffeoyltryptophan

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Caffeoyltryptophan
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Caffeoyltryptophan with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/caffeoyltryptophan-109163-69-1" title="Caffeoyltryptophan structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293399

1 supplier
Free quotes, contact stays private
Get quotes