| Phytochemical Name : Guaiazulene |
| PCNDIDG0148 |
| Pubchem CID : 3515 |
| Molecular formula: C15H18 |
| Canonical SMILES : CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
Synonymes : guaiazulene|489-84-9|1,4-Dimethyl-7-isopropylazulene|Vetivazulen|Azulon|7-Isopropyl-1,4-dimethylazulene|Kessazulen|Purazulen|Silazulon|Uroazulen|Azunol|S-Guaiazulene|Eucazulen|Guajazulene|Guiazulene|Cuteazul|Gurjunazulen|Azulen-beris|guaiazulen|3,8-Dimethyl-5-(2-propyl)azulene|Azulene, 1,4-dimethyl-7-(1-methylethyl)-|1,4-dimethyl-7-propan-2-ylazulene|Vaumigan|1,4-Dimethyl-7-(1-methylethyl)azulene|Azulol|1,4-dimethyl-7-(propan-2-yl)azulene|Eucazulene|hepatoprotectant|NSC 4714|Azulene, 7-isopropyl-1,4-dimethyl-|AZ-8 beris|Azunol (TN)|7-isopropyl- 1,4-dimethylazulene|7-isopropyl-1,4-dimethyl-azulene|AZULENE, 1,4-DIMETHYL-7-ISOPROPYL-|NSC-4714|EINECS 207-701-2|UNII-2OZ1K9JKQC|2OZ1K9JKQC|BRN 1365001|1,3,5,7,9-Guaiapentaene|CHEBI:5550|DTXSID7045996|1,4-Dimethyl-7-isopropyl-Azulene|1,4-Dimethyl-7-isopropylazulene (JAN)|NCGC00095836-02|4-05-00-01751 (Beilstein Handbook Reference)|DTXCID5025996|CAS-489-84-9|1,4-DIMETHYL-7-ISOPROPYLAZULENE [JAN]|Guajazulen|Kessazulene|S-Kessazulene|Guaiazulene, 99%|MFCD00003811|Azulene,4-dimethyl-|Spectrum_001198|GUAIAZULENE [MI]|Spectrum2_001089|Spectrum3_001537|Spectrum4_000762|Spectrum5_001090|GUAIAZULENE [INCI]|GUAIAZULENE [MART.]|BSPBio_002954|GUAIAZULENE [WHO-DD]|KBioGR_001144|KBioSS_001678|MLS002207286|DivK1c_001006|SPECTRUM1502249|SPBio_001138|AZ-8|1,4-Dimethyl-7-isopropylazulen|CHEMBL1408759|HMS503I13|KBio1_001006|KBio2_001678|KBio2_004246|KBio2_006814|KBio3_002454|Azulene,4-dimethyl-7-isopropyl-|NSC4714|NINDS_001006|1, 4-Dimethyl-7-isopropylazulene|HY-N6951|Tox21_111526|BBL027440|CCG-40099|s3995|STK801958|7- isopropyl- 1, 4- dimethylazulene|AKOS001082716|Tox21_111526_1|DB13329|LMPR0103410006|SDCCGMLS-0066686.P001|WLN: L57J B1 F1 IY1&1|IDI1_001006|Azulene,4-dimethyl-7-(1-methylethyl)-|NCGC00095836-01|NCGC00095836-03|NCGC00095836-05|NCGC00178373-01|1,4-dimethyl-7-(1-methylethyl)-azulene|7 - isopropyl - 1,4 - dimethylazulene|AS-13972|LS-23575|SMR001306801|Azulene, 7-isopropyl-1,4-dimethyl- (8CI)|CS-0021588|FT-0626818|G0228|7-isopropyl-1,4-dimethyl-azulene;Guaiazulene|EN300-16623|1,4-Dimethyl-7-(1-methyl)-azulene (azulon)|1,4-Dimethyl-7-(1-methylethyl)azulene, 9CI|C09675|D01037|A827639|SR-05000002441|GUAIAZULENE (CONSTITUENT OF CHAMOMILE) [DSC]|Q3026266|SR-05000002441-1|BRD-K36719159-001-04-9|Z56347227 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.200 |
| Log Po/w (XLOGP3) : 4.760 |
| Log Po/w (WLOGP) : 4.530 |
| Log Po/w (MLOGP) : 5.270 |
| Log Po/w (SILICOS-IT) : 4.970 |
| Consensus Log Po/w : 4.550 |

