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Viridiflorol

Odors

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

Odor Profile

Strength: medium

General Information

Common Name: Viridiflorol
IUPAC Name: (1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
Molecular Formula: C10H18O3
SMILES: CC1CCC2C1C3C(C3(C)C)CCC2(C)O
Inchi: 1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1
Inchi Key: AYXPYQRXGNDJFU-IMNVLQEYSA-N
Cas No: 552-02-3

Functional Group

Alcohols
Hydrocarbons

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 11996452
Zinc: ZINC6031137
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 186.25
Mass (g/mol) 222.198
Molar Refractivity 51.78
Net Charge
HBD 1
HBA 3
Rt Bonds 6
Rings 3
TPSA 54.37
Hetero Atoms 1
Heavy Atoms 13
Aromatic Heavy Atoms 0
Melting Point (°C) 75.00 
Boiling Point (°C@760.00mm Hg) 293.00 to 294.00
Vapor Pressure (mmHg@25.00 °C) 0.000177
Vapor Density (Air =1)
Fraction Csp3 0.80
LogP 3.466
iLOGP 1.77
XLOGP3 1.35
WLOGP 1.48
MLOGP 0.78
ESOL Log S -1.45
ESOL Solubility (mg/ml) 6.62
ESOL Solubility (mol/l) 0.036
ESOL Class: esol_class Very soluble
Ali Log S -2.09
Ali Solubility (mg/ml) 1.5
Ali Solubility (mol/l) 0.01
Ali Class Soluble
Silicos-IT LogSw -2.03
Silicos-IT Solubility (mg/ml) 1.73
Silicos-IT Solubility (mol/l) 0.01
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -6.48
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.984
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.348
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0