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Screening compounds

Ancistrotectorine

Also known as 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methyl-naphthalen-1-ol, 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol, 2-((1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-methoxy-3-methyl-naphthalen-1-ol

CAS 98985-59-2Formula C26H31NO4Molar mass 421.54 g/mol
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Ancistrotectorine chemical structure, C26H31NO4, CAS 98985-59-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98985-59-2
Formula
C26H31NO4
Molar mass
421.54 g/mol
HS code
293349
Category
Screening compounds

What is Ancistrotectorine?

Plain description, key identifiers and synonyms

Ancistrotectorine is a member of isoquinolines and a member of naphthalenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
CAS number
98985-59-2 CAS number cross-checked
Molecular formula
C26H31NO4
InChIKey
BHQAJMGEYYHIGV-JKSUJKDBSA-N
InChI
InChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m0/s1
Canonical SMILES
COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)C(C)N(C)C(C)C2
Isomeric SMILES
C[C@H]1CC2=CC(=C(C(=C2[C@H](N1C)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC

Synonyms

  • 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methyl-naphthalen-1-ol
  • 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
  • 2-((1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-methoxy-3-methyl-naphthalen-1-ol
  • 2-((1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-1-ol
  • 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

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
421.54 g/molcalc.
Exact mass
421.2253 Dacalc.
LogP (octanol/water)
5.48calc.
Topological polar surface area
51.16 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2cc(-c3ccc4c(c3)CNCC4)ccc2c1

c1ccc2cc(-c3ccc4c(c3)CNCC4)ccc2c1

4 rings, 20 atoms.

4 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.

Ancistrotectorine suppliers

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Ancistrotectorine 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 Ancistrotectorine is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ancistrotectorine?

Ancistrotectorine is a member of isoquinolines and a member of naphthalenes.

What is the CAS number of Ancistrotectorine?

The CAS registry number of Ancistrotectorine is 98985-59-2.

What is the molecular formula and weight of Ancistrotectorine?

The molecular formula of Ancistrotectorine is C26H31NO4 and its molar mass is 421.54 g/mol.

What is Ancistrotectorine used for?

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

Is Ancistrotectorine hazardous?

No GHS hazard classification for Ancistrotectorine 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 Ancistrotectorine?

Ancistrotectorine is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ancistrotectorine?

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

What is the price of Ancistrotectorine?

Suppliers quote Ancistrotectorine 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 Ancistrotectorine

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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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