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Screening compounds

Pessoine

Also known as (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol, (13aS)-3-Methoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,10,11-triol, 3-Methoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,10,11-triol

CAS 88668-29-5Formula C18H19NO4Molar mass 313.35 g/mol
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Pessoine chemical structure, C18H19NO4, CAS 88668-29-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88668-29-5
Formula
C18H19NO4
Molar mass
313.35 g/mol
HS code
293399
Category
Screening compounds

What is Pessoine?

Plain description, key identifiers and synonyms

Pessoine has been reported in Annona spinescens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
CAS number
88668-29-5 CAS number cross-checked
Molecular formula
C18H19NO4
InChIKey
NZFYGBOUVBINBH-AWEZNQCLSA-N
InChI
InChI=1S/C18H19NO4/c1-23-18-7-10-2-3-19-9-12-6-16(21)15(20)5-11(12)4-14(19)13(10)8-17(18)22/h5-8,14,20-22H,2-4,9H2,1H3/t14-/m0/s1
Canonical SMILES
COc1cc2c(cc1O)C1Cc3cc(O)c(O)cc3CN1CC2
Isomeric SMILES
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O

Synonyms

  • (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
  • (13aS)-3-Methoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,10,11-triol
  • 3-Methoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,10,11-triol
  • 6H-Dibenzo(a,g)quinolizine-2,10,11-triol, 5,8,13,13a-tetrahydro-3-methoxy-, (S)-

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
313.35 g/molcalc.
Exact mass
313.1314 Dacalc.
LogP (octanol/water)
2.47calc.
Topological polar surface area
73.16 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
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, c1ccc2c(c1)CC1c3ccccc3CCN1C2

c1ccc2c(c1)CC1c3ccccc3CCN1C2

4 rings, 18 atoms, the Tetrahydroprotoberberine ring system.

96 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.

Pessoine suppliers

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Pessoine 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

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

Frequently asked questions

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

What is Pessoine?

Pessoine has been reported in Annona spinescens.

What is the CAS number of Pessoine?

The CAS registry number of Pessoine is 88668-29-5.

What is the molecular formula and weight of Pessoine?

The molecular formula of Pessoine is C18H19NO4 and its molar mass is 313.35 g/mol.

What is Pessoine used for?

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

Is Pessoine hazardous?

No GHS hazard classification for Pessoine 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 Pessoine?

Pessoine 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 Pessoine?

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

What is the price of Pessoine?

Suppliers quote Pessoine 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 Pessoine

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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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