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Name |
(Z)-lanceol
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Molecular Formula | C15H24O | |
IUPAC Name* |
(2E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
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SMILES |
CC1=CC[C@H](CC1)C(=C)CC/C=C(\C)/CO
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InChI |
InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+/t15-/m1/s1
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InChIKey |
HBVOEGGRCJCMLG-DTHCKZEYSA-N
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Synonyms |
(Z)-lanceol; 10067-29-5; Lanceol; (2E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol; CHEMBL443875; Q67866092
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CAS | NA | |
PubChem CID | 15560069 | |
ChEMBL ID | CHEMBL443875 |
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 | |
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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: | 220.35 | ALogp: | 4.0 |
HBD: | 1 | HBA: | 1 |
Rotatable Bonds: | 5 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 20.2 | Aromatic Rings: | 1 |
Heavy Atoms: | 16 | QED Weighted: | 0.669 |
Caco-2 Permeability: | -4.46 | MDCK Permeability: | 0.00001330 |
Pgp-inhibitor: | 0.134 | Pgp-substrate: | 0.004 |
Human Intestinal Absorption (HIA): | 0.008 | 20% Bioavailability (F20%): | 0.919 |
30% Bioavailability (F30%): | 0.947 |
Blood-Brain-Barrier Penetration (BBB): | 0.986 | Plasma Protein Binding (PPB): | 88.01% |
Volume Distribution (VD): | 1.851 | Fu: | 7.42% |
CYP1A2-inhibitor: | 0.463 | CYP1A2-substrate: | 0.169 |
CYP2C19-inhibitor: | 0.116 | CYP2C19-substrate: | 0.114 |
CYP2C9-inhibitor: | 0.04 | CYP2C9-substrate: | 0.297 |
CYP2D6-inhibitor: | 0.064 | CYP2D6-substrate: | 0.656 |
CYP3A4-inhibitor: | 0.1 | CYP3A4-substrate: | 0.228 |
Clearance (CL): | 9.38 | Half-life (T1/2): | 0.52 |
hERG Blockers: | 0.015 | Human Hepatotoxicity (H-HT): | 0.466 |
Drug-inuced Liver Injury (DILI): | 0.074 | AMES Toxicity: | 0.007 |
Rat Oral Acute Toxicity: | 0.014 | Maximum Recommended Daily Dose: | 0.931 |
Skin Sensitization: | 0.932 | Carcinogencity: | 0.654 |
Eye Corrosion: | 0.331 | Eye Irritation: | 0.904 |
Respiratory Toxicity: | 0.45 |
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0.735 | D0O1UZ | ![]() |
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0.188 | ||
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0.174 | ||
ENC000369 | ![]() |
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0.163 | ||
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0.162 | ||
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0.160 | ||
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