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Name |
Perillyl alcohol
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Molecular Formula | C10H16O | |
IUPAC Name* |
(4-prop-1-en-2-ylcyclohexen-1-yl)methanol
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SMILES |
CC(=C)C1CCC(=CC1)CO
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InChI |
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
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InChIKey |
NDTYTMIUWGWIMO-UHFFFAOYSA-N
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Synonyms |
PERILLYL ALCOHOL; 536-59-4; Perilla alcohol; Perillol; Isocarveol; p-Mentha-1,8-dien-7-ol; Hydrocumin alcohol; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-; Dihydrocuminyl alcohol; Iso-carveol; 4-Isopropenylcyclohex-1-en-1-ylmethanol; (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol; 4-Isopropenyl-cyclohex-1-ene-1-methanol; Dihydrocuminic alcohol; 4-Isopropenyl-1-cyclohexene carbinol; FEMA No. 2664; (4-prop-1-en-2-ylcyclohexen-1-yl)methanol; 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene; 4-(1-Methylethenyl)-1-cyclohexene-1-methanol; [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; CHEBI:15420; 1,8-p-Menthadien-7-ol; Cyclohex-1-ene-1-methanol, 4-(1-methylethenyl)-; Para-mentha-1,8-dien-7-ol; Perillic alcohol; CHEMBL444711; 319R5C7293; (4-(prop-1-en-2-yl)cyclohex-1-enyl)methanol; Dl-perillyl alcohol; NSC 641066; EINECS 208-639-9; perill alcohol; 1-perillalcohol; CCRIS 8461; UNII-319R5C7293; dihydrocuminyl alcoholn; l(-)-perillyl alcohol; Spectrum2_000838; Spectrum3_001974; BENCYNOATEHYDROCHLORIDE; BSPBio_003574; STERCOBILINHYDROCHLORIDE; SCHEMBL296111; SPECTRUM1505297; SPBio_000795; PERILLYL ALCOHOL [INCI]; DTXSID4052180; KBio3_002951; (+/-)-PERILLYL ALCOHOL; HY-N7000; 4-Isopropenyl-1-cyclohexene-methanol; BDBM50252404; CCG-40267; MFCD00001567; s3853; 4-isopropenyl-cyclohex-1-enylmethanol; AKOS006227854; CS-W019441; SB45076; SDCCGMLS-0066882.P001; NCGC00095297-01; NCGC00095297-02; NCGC00095297-03; AC-35110; P-MENTHA-1,8-DIEN-7-OL [FHFI]; (4-Isopropenyl-1-cyclohexen-1-yl)methanol; DB-065484; DB-071728; FT-0627990; FT-0690515; EN300-97783; A870664; SR-05000002384; SR-05000002384-1; BRD-A13323580-001-03-0; Q15391928; Z1198147170; F9405E33-6136-4D27-A15E-C10CDC8C9AC4; (+/-)-1-CYCLOHEXENE-1-METHANOL, 4-(1-METHYLETHENYL)-
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CAS | 536-59-4 | |
PubChem CID | 10819 | |
ChEMBL ID | CHEMBL444711 |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 152.23 | ALogp: | 2.1 |
HBD: | 1 | HBA: | 1 |
Rotatable Bonds: | 2 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 20.2 | Aromatic Rings: | 1 |
Heavy Atoms: | 11 | QED Weighted: | 0.603 |
Caco-2 Permeability: | -4.271 | MDCK Permeability: | 0.00001430 |
Pgp-inhibitor: | 0.001 | Pgp-substrate: | 0 |
Human Intestinal Absorption (HIA): | 0.004 | 20% Bioavailability (F20%): | 0.947 |
30% Bioavailability (F30%): | 0.99 |
Blood-Brain-Barrier Penetration (BBB): | 0.967 | Plasma Protein Binding (PPB): | 53.37% |
Volume Distribution (VD): | 1.308 | Fu: | 39.68% |
CYP1A2-inhibitor: | 0.292 | CYP1A2-substrate: | 0.291 |
CYP2C19-inhibitor: | 0.031 | CYP2C19-substrate: | 0.474 |
CYP2C9-inhibitor: | 0.014 | CYP2C9-substrate: | 0.342 |
CYP2D6-inhibitor: | 0.01 | CYP2D6-substrate: | 0.803 |
CYP3A4-inhibitor: | 0.025 | CYP3A4-substrate: | 0.244 |
Clearance (CL): | 9.169 | Half-life (T1/2): | 0.724 |
hERG Blockers: | 0.018 | Human Hepatotoxicity (H-HT): | 0.281 |
Drug-inuced Liver Injury (DILI): | 0.06 | AMES Toxicity: | 0.011 |
Rat Oral Acute Toxicity: | 0.015 | Maximum Recommended Daily Dose: | 0.658 |
Skin Sensitization: | 0.439 | Carcinogencity: | 0.937 |
Eye Corrosion: | 0.244 | Eye Irritation: | 0.983 |
Respiratory Toxicity: | 0.833 |
Similar NPs | Similar Drugs | ||||||
---|---|---|---|---|---|---|---|
NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC000555 | ![]() |
0.583 | D03KEK | ![]() |
0.196 | ||
ENC001066 | ![]() |
0.583 | D0O1UZ | ![]() |
0.192 | ||
ENC003092 | ![]() |
0.574 | D0YH0N | ![]() |
0.178 | ||
ENC002276 | ![]() |
0.477 | D05HXX | ![]() |
0.176 | ||
ENC005926 | ![]() |
0.407 | D0P4MT | ![]() |
0.164 | ||
ENC001816 | ![]() |
0.405 | D07VFD | ![]() |
0.164 | ||
ENC002339 | ![]() |
0.396 | D0Z8SF | ![]() |
0.163 | ||
ENC002219 | ![]() |
0.390 | D0B4RU | ![]() |
0.160 | ||
ENC000194 | ![]() |
0.372 | D06CGB | ![]() |
0.159 | ||
ENC001437 | ![]() |
0.365 | D0K0EK | ![]() |
0.156 |