Reaction product of 3,9-dibromobenzanthrone condensed with 2 equivalents of 1-aminoanthraquinone, subsequently further condensed under oxidative conditions

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

30 September 2016

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE
US EPA On-Line EPI Suite™ v.4.11

2. MODEL (incl. version number)
BIOWIN™ v4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C1c2ccccc2C(=O)c3c(Nc4ccc5c(c4)C(=O)c6ccc7c8ccc9C(=O)c%10ccccc%10C(=O)c9c8Nc%11ccc5c6c7%11)cccc13

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The BIOWIN User Manual is available at https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface. No QMRF currently exists.
- Defined endpoint: Yes, ready biodegradation
- Unambiguous algorithm: Yes
- Defined domain of applicability: Yes
- Appropriate measures of goodness-of-fit and robustness and predictivity: Yes
- Mechanistic interpretation: Yes

5. APPLICABILITY DOMAIN
- Descriptor domain: The substance is considered to fall in the applicability domain of the model based on the training set compounds.
- Structural and mechanistic domains: This substance is considered to fall into the correct applicability domain for the substance as an aromatic substance with amine and ketone groups.
- Similarity with analogues in the training set: The data set specifically includes aromatic carbon structures and structures with amine and ketone groups.
See QPRF attached below under 'attached background information'.

6. ADEQUACY OF THE RESULT
The final result should be considered to be suitable as it is appropriate for the rule base used, and fits the chemical categories employed by the BIOWIN v4.10 model.

Qualifier:

no guideline followed

Principles of method if other than guideline:

QSAR using US EPA On-Line EPI Suite™ BIOWIN™

GLP compliance:

no

Details on inoculum:

Not applicable

Preliminary study:

Not applicable

Test performance:

Not applicable

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Value:

0

Remarks on result:

not readily biodegradable based on QSAR/QSPR prediction

Details on results:

Results for main component of the UVCB substance:
Not readily biodegradable.
Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant
Biowin4 (Primary Biodegradation Timeframe): Weeks-Months
Biowin5 (MITI Linear Model Prediction) : Not Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Not Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO

Validity criteria fulfilled:

yes

Interpretation of results:

not readily biodegradable

Conclusions:

In accordance with the result generated using the QSAR model, US EPA On-Line EPI Suite™ BIOWIN™ v4.10, the main component of the substance is considered to be not readily biodegradable.

Executive summary:

The ready biodegradablity of the main component of the substance was estimated by inputting the SMILES code into the QSAR tool, US EPA On-Line EPI Suite™ BIOWIN™ v4.10. The result obtained using this tool was 'not readily biodegradable'.

Description of key information

The ready biodegradability of the main component of the substance was estimated by inputting the SMILES code into the QSAR tool, US EPA On-Line EPI Suite™ BIOWIN™ v4.10. The result obtained using this tool was 'not readily biodegradable'.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed