Compound Description
| ID: C0880 | Common name: Allyl Isothiocyanate |
| IUPAC: 3-isothiocyanatoprop-1-ene | CAS: CAS:57-06-7 |
| Chembl ID: CHEMBL233248 | Pubchem ID: CID:5971 |
| Formula: C4H5NS | TCM-ID: TCMC662 |
| Smiles: C=CCN=C=S | |
| Alias:
Isothiocyanic acid, allyl ester;
3-Isothiocyanato-1-propene; 2-Propenyl isothiocyanate; AITC; Allyl isothiocyanate; Allyl thioisocyanate; Allylsevenolum; Allyspol; Allyspol 75EC; Carbospol; NSC 5572; Oleum sinapis; Redskin; Senfoel; Wasaouro; Wasaouro EXT |
Structure:
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Related Targets (Total: 4)
| Target id | Protein Name | Gene Symbol | Uniprot ID | Target Level | No.of Literature Evidence |
|---|---|---|---|---|---|
| T09INZ | Transient receptor potential cation channel subfamily A member 1 | TRPA1 |
O75762 |
A | 1 Reference(s) |
| T63GUB | Proto-oncogene c-Fos | FOS |
P01100 |
C | 1 Reference(s) |
| T69RXK | Cytochrome P450 2C9 | CYP2C9 |
P11712 |
C | 1 Reference(s) |
| T21EGX | Multidrug resistance-associated protein 1 | ABCC1 |
P33527 |
C | 1 Reference(s) |
*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Related Herbs (Total: 8)
| Herb id | Chinese Pin Yin | Chinese Character | English Name | Latin Name |
|---|---|---|---|---|
| H0990 | Ding Xiang | 丁香 | Clove tree | Syzygium aromaticum |
| H0669 | Xie Bai | 薤白 | Longstamen onion | Allium macrostemon |
| H0043 | Jie Zi | 芥子 | India mustard seed | Brassica juncea |
| H0903 | Ci Cai | 荠菜 | Shepherdspurse | Capsella bursa-pastoris |
| H1097 | Gong Ding Xiang | 公丁香 | NA | Syzygium aromaticum |
| H0360 | Ren Zhong Bai | 人中白 | Human urine sediment | Homo sapiens |
| H1152 | Bai Jie Zi | 白芥子 | White mustard seed | Sinapis alba |
| H0847 | Zi He Che | 紫河车 | Human placenta | Homo sapiens |
Ckey description of the interaction between compound and target