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Flavonoids and polyphenols

Multicaulisin

Also known as 6-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, US20240016777, Table1d.1

CAS 286461-76-5Formula C40H36O11Molar mass 692.72 g/mol
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Multicaulisin chemical structure, C40H36O11, CAS 286461-76-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
286461-76-5
Formula
C40H36O11
Molar mass
692.72 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Multicaulisin?

Plain description, key identifiers and synonyms

Multicaulisin has been reported in Morus alba.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CAS number
286461-76-5
Molecular formula
C40H36O11
InChIKey
IRBDNXPVYAEOSW-IKXMMLORSA-N
InChI
InChI=1S/C40H36O11/c1-19(2)4-3-5-20-12-27(24-9-6-21(41)14-29(24)44)36(39(49)26-11-8-23(43)16-31(26)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)25-10-7-22(42)15-30(25)45/h4,6-11,13-18,27-28,36,41-47,50H,3,5,12H2,1-2H3/t27-,28-,36-/m1/s1
Canonical SMILES
CC(C)=CCCC1=CC(c2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)C(C(=O)c2ccc(O)cc2O)C(c2ccc(O)cc2O)C1
Isomeric SMILES
CC(=CCCC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=C(C=C(C=C6)O)O)O)C

Synonyms

  • 6-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
  • US20240016777, Table1d.1

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
692.72 g/molcalc.
Exact mass
692.2258 Dacalc.
LogP (octanol/water)
7.55calc.
Topological polar surface area
209.1 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
51calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (4 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(c1ccccc1)C1C(c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C=CCC1c1ccccc1

O=C(c1ccccc1)C1C(c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C=CCC1c1ccccc1

6 rings, 37 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.

Multicaulisin suppliers

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Multicaulisin price

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

Frequently asked questions

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

What is Multicaulisin?

Multicaulisin has been reported in Morus alba.

What is the CAS number of Multicaulisin?

The CAS registry number of Multicaulisin is 286461-76-5.

What is the molecular formula and weight of Multicaulisin?

The molecular formula of Multicaulisin is C40H36O11 and its molar mass is 692.72 g/mol.

Is Multicaulisin hazardous?

No GHS hazard classification for Multicaulisin 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 Multicaulisin?

Multicaulisin 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 Multicaulisin?

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What is the price of Multicaulisin?

Suppliers quote Multicaulisin 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 Multicaulisin

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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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