| Phytochemical Name : Myrcene |
| PCNDIDM0169 |
| Pubchem CID : 31253 |
| Molecular formula: C10H16 |
| Canonical SMILES : CC(=CCCC(=C)C=C)C |
Synonymes : MYRCENE|123-35-3|beta-Myrcene|7-Methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methylene-1,6-octadiene|1,6-Octadiene, 7-methyl-3-methylene-|7-methyl-3-methylideneocta-1,6-diene|.beta.-Myrcene|beta-geraniolene|Myrcene (natural)|FEMA No. 2762|2-Methyl-6-methylene-2,7-octadiene|b-Myrcene|3-Methylene-7-methyl-1,6-octadiene|.beta.-Geraniolene|CCRIS 3725|NSC 406264|HSDB 1258|beta -myrcene|EINECS 204-622-5|UNII-3M39CZS25B|NSC-406264|BRN 1719990|3M39CZS25B|DTXSID6025692|CHEBI:17221|AI3-00738|2-Methyl-6-methylene-1,7-octadiene|7-Methyl-3-methylene-octa-1,6-diene|DTXCID205692|Myrcene (stabilized with BHT)|EC 204-622-5|4-01-00-01108 (Beilstein Handbook Reference)|7-Methyl-3-methyleneoctadiene-(1,6)|Mycrene 1000 microg/mL in Isopropanol|MFCD00008908|mirceno|Myrcne|b-Geraniolene|beta -mircene|Myrcene, .beta.-|MRE (CHRIS Code)|MYRCENE [FHFI]|MYRCENE [HSDB]|MYRCENE [INCI]|Myrcene, technical grade|MYRCENE [FCC]|beta-MYRCENE (IARC)|MYRCENE 90|Myrcene analytical standard|Myrcene, analytical standard|beta-Myrcene (>90%)|FEMA NUMBER 2762|1, 7-methyl-3-methylene-|.BETA.-MYRCENE [MI]|CHEMBL455491|.BETA.-MYRCENE [IARC]|FEMA 2762|Methyl-3-methylene-1,6-octadiene|Methyl-6-methylene-2,7-octadiene|Methylene-7-methyl-1,6-octadiene|Octadiene, 7-methyl-3-methylene-|2-metil-6-metilen-2,7-octadieno|3-metilen-7-metil-1,6-octadieno|7-metil-3-metilen-1,6-octadieno|HY-N0803|WLN: 1Y1&U3YU1&1U1|2-Methyl-6-methylene-27-octadiene|3-Methylene-7-methyl-16-octadiene|Tox21_300351|BBL036906|LS-678|NSC406264|STL477735|1,6-octadieno, 7-metil-3-metilen-|2-Methyl-6-methylene-2 7-octadiene|3-Methylene-7-methyl-1 6-octadiene|7-Methyl-3-methylene-1 6-octadiene|AKOS015904015|3-Methylene-7-methyl-1, 6-octadiene|LMPR0102010005|7-methyl-3-methylidene-octa-1,6-diene|NCGC00091420-01|NCGC00091420-02|NCGC00254252-01|CAS-123-35-3|Myrcene, >=95%, stabilized, FCC, FG|VS-13772|7-?Methyl-?3-?methylene-?1,6-?octadiene|beta-Myrcene 1000 microg/mL in Isopropanol|FT-0629050|FT-0672572|M0235|7-Methyl-3-methylene-1,6-octadiene (myrcene)|C06074|E80785|EN300-187797|7 - methyl - 3 - methyleneocta - 1,6 - diene|A805060|Myrcene, primary pharmaceutical reference standard|Q424577|Q-201417|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|29463-45-4|N6Q |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.890 |
| Log Po/w (XLOGP3) : 4.170 |
| Log Po/w (WLOGP) : 3.480 |
| Log Po/w (MLOGP) : 3.560 |
| Log Po/w (SILICOS-IT) : 3.050 |
| Consensus Log Po/w : 3.430 |