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Screening compounds

Phaeosphenone

Also known as 1,5-dihydroxy-3,7-dimethyl-2-((1S,2R,4R,5S,8S)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl)anthracene-9,10-dione, 1,5-dihydroxy-3,7-dimethyl-2-[(1S,2R,4R,5S,8S)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl]anthracene-9,10-dione

CAS 1038751-31-3Formula C30H26O10Molar mass 546.53 g/mol
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Phaeosphenone chemical structure, C30H26O10, CAS 1038751-31-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1038751-31-3
Formula
C30H26O10
Molar mass
546.53 g/mol
HS code
291469
Category
Screening compounds

What is Phaeosphenone?

Plain description, key identifiers and synonyms

phaeosphenone has been reported in Streptomyces lucensis and Phaeosphaeria.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,5-dihydroxy-3,7-dimethyl-2-[(1S,2R,4R,5S,8S)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl]anthracene-9,10-dione
CAS number
1038751-31-3
Molecular formula
C30H26O10
InChIKey
LOFFATGNDCRNKI-YGUNZFGTSA-N
InChI
InChI=1S/C30H26O10/c1-9-5-11-19(16(33)6-9)25(35)12-7-10(2)18(28(38)20(12)26(11)36)13-8-17(34)23-24(27(13)37)30(40)22-15(32)4-3-14(31)21(22)29(23)39/h5-7,13-15,17,27,31-34,37-38H,3-4,8H2,1-2H3/t13-,14+,15+,17-,27+/m1/s1
Canonical SMILES
Cc1cc(O)c2c(c1)C(=O)c1c(cc(C)c(C3CC(O)C4=C(C(=O)C5=C(C4=O)C(O)CCC5O)C3O)c1O)C2=O
Isomeric SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3)C)[C@H]4C[C@H](C5=C([C@H]4O)C(=O)C6=C(C5=O)[C@H](CC[C@@H]6O)O)O)O

Synonyms

  • 1,5-dihydroxy-3,7-dimethyl-2-((1S,2R,4R,5S,8S)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl)anthracene-9,10-dione
  • 1,5-dihydroxy-3,7-dimethyl-2-[(1S,2R,4R,5S,8S)-1,4,5,8-tetrahydroxy-9,10-dioxo-1,2,3,4,5,6,7,8-octahydroanthracen-2-yl]anthracene-9,10-dione

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
546.53 g/molcalc.
Exact mass
546.1526 Dacalc.
LogP (octanol/water)
0.96calc.
Topological polar surface area
189.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
1calc.
Heavy atoms
40calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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=C1C2=C(CCCC2)C(=O)C2=C1CCC(c1ccc3c(c1)C(=O)c1ccccc1C3=O)C2

O=C1C2=C(CCCC2)C(=O)C2=C1CCC(c1ccc3c(c1)C(=O)c1ccccc1C3=O)C2

6 rings, 32 atoms.

No other chemical in our database has 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.

Phaeosphenone suppliers

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Phaeosphenone 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 Phaeosphenone is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phaeosphenone?

phaeosphenone has been reported in Streptomyces lucensis and Phaeosphaeria.

What is the CAS number of Phaeosphenone?

The CAS registry number of Phaeosphenone is 1038751-31-3.

What is the molecular formula and weight of Phaeosphenone?

The molecular formula of Phaeosphenone is C30H26O10 and its molar mass is 546.53 g/mol.

What is Phaeosphenone used for?

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

Is Phaeosphenone hazardous?

No GHS hazard classification for Phaeosphenone 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 Phaeosphenone?

Phaeosphenone is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phaeosphenone?

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

What is the price of Phaeosphenone?

Suppliers quote Phaeosphenone 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 Phaeosphenone

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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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