CompoundList
Sign in
Screening compounds

Isorabaichromone

Also known as 8-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-1-benzopyran-4-one, 8-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-|A-D-glucopyranosyl]-2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-1-benzopyran-4-one

CAS 194669-79-9Formula C29H32O12Molar mass 572.56 g/mol
Get quotes Safety data
Isorabaichromone chemical structure, C29H32O12, CAS 194669-79-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
194669-79-9
Formula
C29H32O12
Molar mass
572.56 g/mol
HS code
293299
Category
Screening compounds

What is Isorabaichromone?

Plain description, key identifiers and synonyms

Isorabaichromone has been reported in Aloe vera.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
194669-79-9
Molecular formula
C29H32O12
InChIKey
DWFAOPWLORYRCM-VLFSRZOJSA-N
InChI
InChI=1S/C29H32O12/c1-13-8-20(38-3)24(27-23(13)19(34)11-16(39-27)9-14(2)31)28-29(26(37)25(36)21(12-30)40-28)41-22(35)7-5-15-4-6-17(32)18(33)10-15/h4-8,10-11,14,21,25-26,28-33,36-37H,9,12H2,1-3H3/b7-5+/t14-,21+,25+,26-,28-,29+/m0/s1
Canonical SMILES
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccc(O)c(O)c1
Isomeric SMILES
CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)OC

Synonyms

  • 8-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-1-benzopyran-4-one
  • 8-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-|A-D-glucopyranosyl]-2-[(2S)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-1-benzopyran-4-one

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
572.56 g/molcalc.
Exact mass
572.1894 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
196.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
8calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (3 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)OC1CCCOC1c1cccc2c(=O)ccoc12

O=C(C=Cc1ccccc1)OC1CCCOC1c1cccc2c(=O)ccoc12

4 rings, 28 atoms.

11 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.

Isorabaichromone 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 Isorabaichromone can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

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

Frequently asked questions

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

What is Isorabaichromone?

Isorabaichromone has been reported in Aloe vera.

What is the CAS number of Isorabaichromone?

The CAS registry number of Isorabaichromone is 194669-79-9.

What is the molecular formula and weight of Isorabaichromone?

The molecular formula of Isorabaichromone is C29H32O12 and its molar mass is 572.56 g/mol.

What is Isorabaichromone used for?

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

Is Isorabaichromone hazardous?

No GHS hazard classification for Isorabaichromone 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 Isorabaichromone?

Isorabaichromone 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 Isorabaichromone?

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

What is the price of Isorabaichromone?

Suppliers quote Isorabaichromone 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 Isorabaichromone

Get quotes for Isorabaichromone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Isorabaichromone
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 Isorabaichromone 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/isorabaichromone-194669-79-9" title="Isorabaichromone 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 293299

Price on request
Free quotes, contact stays private
Get quotes