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Screening compounds

Protohypericin

Also known as 1,3,4,6,8,15-hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione, 1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione, Protohypericin [M+H]+

CAS 548-03-8Formula C30H18O8Molar mass 506.47 g/mol
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Protohypericin chemical structure, C30H18O8, CAS 548-03-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548-03-8
Formula
C30H18O8
Molar mass
506.47 g/mol
HS code
290729
Category
Screening compounds

What is Protohypericin?

Plain description, key identifiers and synonyms

Protohypericin is a phenanthrol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione
CAS number
548-03-8 CAS number cross-checked
Molecular formula
C30H18O8
UNII
F2LTB9RH6T
InChIKey
DPKVSJZTYNGFAW-UHFFFAOYSA-N
InChI
InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,33-38H,1-2H3
SMILES (canonical and isomeric)
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

Synonyms

  • 1,3,4,6,8,15-hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione
  • 1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione
  • Protohypericin [M+H]+
  • Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl-
  • Dibenzo[a,o]perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,13-dimethyl-

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
506.47 g/molcalc.
Exact mass
506.1002 Dacalc.
LogP (octanol/water)
5.05calc.
Topological polar surface area
155.5 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
0calc.
Heavy atoms
38calc.
Rings
7calc.
Aromatic rings
7calc.
Fraction sp3 carbons
0.07calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=c1cccc2c1cc1cccc3c4cccc5cc6c(=O)cccc6c(c54)c2c13

O=c1cccc2c1cc1cccc3c4cccc5cc6c(=O)cccc6c(c54)c2c13

7 rings, 30 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.

Protohypericin suppliers

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Protohypericin 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 Protohypericin is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Protohypericin?

Protohypericin is a phenanthrol.

What is the CAS number of Protohypericin?

The CAS registry number of Protohypericin is 548-03-8.

What is the molecular formula and weight of Protohypericin?

The molecular formula of Protohypericin is C30H18O8 and its molar mass is 506.47 g/mol.

What is Protohypericin used for?

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

Is Protohypericin hazardous?

No GHS hazard classification for Protohypericin 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 Protohypericin?

Protohypericin is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Protohypericin?

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

What is the price of Protohypericin?

Suppliers quote Protohypericin 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 Protohypericin

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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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