Compound | Perillaldehyde |
NPACT-Id | NPACT00850 |
IUPAC | 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
Synonyms | Perillyl aldehyde;PERILLALDEHYDE;Perilla aldehyde;Perillal;Perillic aldehyde;l-Perillaldehyde;P-Mentha-1,8-dien-7-al;(-)-Perillaldehyde;1-Perillaldehyde;Dihydrocuminyl aldehyde |
PubChem Id | 16441 |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | RAP1A | RHOA | RHOB | All | |
Properties | Physical Elemental Topological |
InChi Key | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
InChi | 1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
SMILES | O=CC1=CC[C@@H](CC1)C(=C)C |
SMART | [H]C([H])=C(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])=C(C([H])=O)C([H])([H])C1([H])[H] |
CAS No. | 2111-75-3 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C033342 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, ChemFrog, ChemMol, IS Chemical Technology, Jamson Pharmachem Technology, R&D Chemicals, TCI (Tokyo Chemical Industry), |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |