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Heterocyclic compounds

Michellamine E

Also known as Michellamine A3, Michellamine B3

CAS 191539-53-4Formula C47H50N2O8Molar mass 770.92 g/mol
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Michellamine E chemical structure, C47H50N2O8, CAS 191539-53-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
191539-53-4
Formula
C47H50N2O8
Molar mass
770.92 g/mol
HS code
293349
Category
Heterocyclic compounds

What is Michellamine E?

Plain description, key identifiers and synonyms

(1R,3S)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol has been reported in Ancistrocladus korupensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
CAS number
191539-53-4
Molecular formula
C47H50N2O8
InChIKey
BWDHNUUYBZPQFQ-ZFFYZDHPSA-N
InChI
InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23+,24-,25-/m1/s1
Canonical SMILES
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)N(C)C5C)c4cc(C)cc(OC)c4c3O)c(O)c12
Isomeric SMILES
C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8C[C@@H](N([C@@H](C8=C(C=C7O)O)C)C)C)O

Synonyms

  • Michellamine A3
  • Michellamine B3

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
770.92 g/molcalc.
Exact mass
770.3567 Dacalc.
LogP (octanol/water)
9.39calc.
Topological polar surface area
155.1 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
57calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
4calc.
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, c1cc2c(c(-c3cc(-c4cc(-c5cccc6c5CCNC6)c5ccccc5c4)cc4ccccc34)c1)CCNC2

c1cc2c(c(-c3cc(-c4cc(-c5cccc6c5CCNC6)c5ccccc5c4)cc4ccccc34)c1)CCNC2

8 rings, 40 atoms.

3 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.

Michellamine E suppliers

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Michellamine E 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

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

Frequently asked questions

Quick answers about Michellamine E, based on the data on this page

What is Michellamine E?

(1R,3S)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol has been reported in Ancistrocladus korupensis.

What is the CAS number of Michellamine E?

The CAS registry number of Michellamine E is 191539-53-4.

What is the molecular formula and weight of Michellamine E?

The molecular formula of Michellamine E is C47H50N2O8 and its molar mass is 770.92 g/mol.

Is Michellamine E hazardous?

No GHS hazard classification for Michellamine E 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 Michellamine E?

Michellamine E 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 Michellamine E?

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

What is the price of Michellamine E?

Suppliers quote Michellamine E 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 Michellamine E

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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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