Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H12N2O.3H2O |
| Molecular Weight | 254.2823 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CC1=NCCC2=C1NC3=C2C=CC(O)=C3
InChI
InChIKey=PMKVQXPQTXKYGD-UHFFFAOYSA-N
InChI=1S/C12H12N2O.3H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-3,6,14-15H,4-5H2,1H3;3*1H2
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Harmaline and harmalol inhibit the carcinogen-activating enzyme CYP1A1 via transcriptional and posttranslational mechanisms. | 2012-02 |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Anti-AIDS agents. 46. Anti-HIV activity of harman, an anti-HIV principle from Symplocos setchuensis, and its derivatives. | 2001-07 |
|
| Steroid hormone activity of flavonoids and related compounds. | 2000-07 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:06:40 GMT 2025
by
admin
on
Mon Mar 31 21:06:40 GMT 2025
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| Record UNII |
U0496FC66G
|
| Record Status |
Validated (UNII)
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| Record Version |
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Systematic Name | English | ||
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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U0496FC66G
Created by
admin on Mon Mar 31 21:06:40 GMT 2025 , Edited by admin on Mon Mar 31 21:06:40 GMT 2025
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PRIMARY | |||
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m5917
Created by
admin on Mon Mar 31 21:06:40 GMT 2025 , Edited by admin on Mon Mar 31 21:06:40 GMT 2025
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PRIMARY | Merck Index | ||
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135565618
Created by
admin on Mon Mar 31 21:06:40 GMT 2025 , Edited by admin on Mon Mar 31 21:06:40 GMT 2025
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PRIMARY | |||
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6027-99-2
Created by
admin on Mon Mar 31 21:06:40 GMT 2025 , Edited by admin on Mon Mar 31 21:06:40 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
