CompoundList
Sign in
Flavonoids and polyphenols

Herbacitrin

Also known as Isoariculatin, Herbacetin 7-O-glucoside, 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

CAS 35815-07-7Formula C21H20O12Molar mass 464.38 g/mol
Get quotes Safety data
Herbacitrin chemical structure, C21H20O12, CAS 35815-07-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35815-07-7
Formula
C21H20O12
Molar mass
464.38 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Herbacitrin?

Plain description, key identifiers and synonyms

Herbacitrin has been reported in Equisetum arvense, Ephedra alata, and Ephedra lomatolepis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CAS number
35815-07-7 CAS number cross-checked
Molecular formula
C21H20O12
InChIKey
RSPZVQZNRINVPE-ZGNDCXKCSA-N
InChI
InChI=1S/C21H20O12/c22-6-11-13(25)16(28)18(30)21(32-11)31-10-5-9(24)12-15(27)17(29)19(33-20(12)14(10)26)7-1-3-8(23)4-2-7/h1-5,11,13,16,18,21-26,28-30H,6H2/t11-,13-,16+,18-,21-/m1/s1
Canonical SMILES
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(OC3OC(CO)C(O)C(O)C3O)cc(O)c12
Isomeric SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Synonyms

  • Isoariculatin
  • Herbacetin 7-O-glucoside
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
  • Herbacetin 7-glucoside
  • herbacetin-7-O-beta-D-glucoside
  • 3,5,7,8,4'-Pentahydroxyflavone 7-glucoside
  • 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside

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
464.38 g/molcalc.
Exact mass
464.0955 Dacalc.
LogP (octanol/water)
-0.54calc.
Topological polar surface area
210.5 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
4calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

144 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.

Herbacitrin suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Herbacitrin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Herbacitrin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Herbacitrin?

Herbacitrin has been reported in Equisetum arvense, Ephedra alata, and Ephedra lomatolepis.

What is the CAS number of Herbacitrin?

The CAS registry number of Herbacitrin is 35815-07-7.

What is the molecular formula and weight of Herbacitrin?

The molecular formula of Herbacitrin is C21H20O12 and its molar mass is 464.38 g/mol.

Is Herbacitrin hazardous?

No GHS hazard classification for Herbacitrin 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 Herbacitrin?

Herbacitrin 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 Herbacitrin?

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

What is the price of Herbacitrin?

Suppliers quote Herbacitrin 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 Herbacitrin

Get quotes for Herbacitrin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Herbacitrin
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 Herbacitrin 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/herbacitrin-35815-07-7" title="Herbacitrin 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 Flavonoids and polyphenols or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes