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Name |
Carvone
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Molecular Formula | C10H14O | |
IUPAC Name* |
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
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SMILES |
CC1=CCC(CC1=O)C(=C)C
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InChI |
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
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InChIKey |
ULDHMXUKGWMISQ-UHFFFAOYSA-N
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Synonyms |
CARVONE; 99-49-0; 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone; Karvon; dl-Carvone; 1-Carvone; p-Mentha-6,8-dien-2-one; 2-Methyl-5-isopropenyl-2-cyclohexenone; Carvone [ISO]; D-Cavone; 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one; 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-; 6,8(9)-p-Menthadien-2-one; 2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one; NCI-C55867; 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one; (+/-)-carvone; 6,8-p-Menthadien-2-one; 75GK9XIA8I; p-Mentha-6,8-dien-2-one, (R)-(-)-; 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-; CHEBI:38265; p-mentha-1(6),8-dien-2-one; NSC6275; NSC-6275; 2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-one; MFCD00062996; Carvone 100 microg/mL in Acetonitrile; Carvone (natural); l-6,8(9)-p-Menthadien-2-one; FEMA Number 2249; 6,8-p-Menthadien-2-on; limonen-6-one; d-p-Mentha-1(6),8-dien-2-one; FEMA No. 2249; HSDB 707; (+-)-Carvone; NSC 6275; EINECS 202-759-5; UNII-75GK9XIA8I; delta(sup 6,8)-(9)-terpadienone-2; BRN 1364206; Carvon; a carvone; AI3-08877; MFCD00001578; MFCD00062997; d-p-Mentha-6,8,(9)-dien-2-one; .alpha.-Carvone; delta-1-Methyl-4-isopropenyl-6-cyclohexen-2-one; 5-isopropenyl-2-methylcyclohex-2-en-1-one; CARVONE [HSDB]; CARVONE [INCI]; CARVONE [MI]; CARVONE, DL-; 5-isopropenyl-2-methyl-cyclohex-2-en-1-one; 2-Methyl-5-(1-propen-2-yl)-2-cyclohexenone; DSSTox_CID_27426; DSSTox_RID_82339; NCIOpen2_001348; (RS)-5-isopropenyl-2-methylcyclohex-2-en-1-one; DSSTox_GSID_47426; SCHEMBL39408; 4-07-00-00316 (Beilstein Handbook Reference); CARVONE DL-FORM [MI]; CHEMBL15676; CARVONE, (+-)-; CARVONE, (+/-)-; DTXSID8047426; AMY4152; HMS1789N08; NSC93738; Tox21_302547; BBL010103; NSC-93738; STK801456; AKOS000121377; AKOS016843655; CAS-99-49-0; NCGC00256915-01; WLN: L6V BUTJ B1 EY1 & U1; .delta.(sup 6,8)-(9)-Terpadienone-2; AS-10471; NCI60_008753; SY010704; SY012922; SY274718; 2-Methyl-5-isopropenyl-2-cyclohexen-1-one; DB-054736; CS-0033814; FT-0600385; FT-0605067; FT-0658046; EN300-16634; FEMA NO. 2249, (+/-)-; O10834; (-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one; A858458; Q416800; .delta.-1-Methyl-4-isopropenyl-6-cyclohexen-2-one; 5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (R)-; W-100036; 2-methyl-5-(1-methyl-1-ethenyl)-2-cyclohexen-1-one
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CAS | 99-49-0 | |
PubChem CID | 7439 | |
ChEMBL ID | CHEMBL15676 |
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: | 150.22 | ALogp: | 2.4 |
HBD: | 0 | HBA: | 1 |
Rotatable Bonds: | 1 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 17.1 | Aromatic Rings: | 1 |
Heavy Atoms: | 11 | QED Weighted: | 0.524 |
Caco-2 Permeability: | -4.366 | MDCK Permeability: | 0.00002790 |
Pgp-inhibitor: | 0 | Pgp-substrate: | 0.002 |
Human Intestinal Absorption (HIA): | 0.005 | 20% Bioavailability (F20%): | 0.02 |
30% Bioavailability (F30%): | 0.003 |
Blood-Brain-Barrier Penetration (BBB): | 0.99 | Plasma Protein Binding (PPB): | 52.96% |
Volume Distribution (VD): | 0.84 | Fu: | 39.35% |
CYP1A2-inhibitor: | 0.126 | CYP1A2-substrate: | 0.816 |
CYP2C19-inhibitor: | 0.051 | CYP2C19-substrate: | 0.824 |
CYP2C9-inhibitor: | 0.022 | CYP2C9-substrate: | 0.211 |
CYP2D6-inhibitor: | 0.013 | CYP2D6-substrate: | 0.734 |
CYP3A4-inhibitor: | 0.1 | CYP3A4-substrate: | 0.291 |
Clearance (CL): | 13.606 | Half-life (T1/2): | 0.766 |
hERG Blockers: | 0.005 | Human Hepatotoxicity (H-HT): | 0.046 |
Drug-inuced Liver Injury (DILI): | 0.455 | AMES Toxicity: | 0.029 |
Rat Oral Acute Toxicity: | 0.061 | Maximum Recommended Daily Dose: | 0.032 |
Skin Sensitization: | 0.041 | Carcinogencity: | 0.432 |
Eye Corrosion: | 0.832 | Eye Irritation: | 0.912 |
Respiratory Toxicity: | 0.694 |
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0.179 | ||
ENC001439 | ![]() |
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0.173 | ||
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0.170 | ||
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0.169 | ||
ENC001829 | ![]() |
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0.169 |