Mrv1572004081602302D          

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M  END
> <DATABASE_ID>
DB09061

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

> <INCHI_KEY>
QHMBSVQNZZTUGM-ZWKOTPCHSA-N

> <FORMULA>
C21H30O2

> <MOLECULAR_WEIGHT>
314.469

> <EXACT_MASS>
314.224580206

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
38.34811041303557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

> <ALOGPS_LOGP>
6.10

> <JCHEM_LOGP>
6.325201126666667

> <ALOGPS_LOGS>
-4.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.58381154908063

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.12873016538115

> <JCHEM_PKA_STRONGEST_BASIC>
-5.723975042887205

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
98.53089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cannabidiol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09061

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Cannabidiol

> <SYNONYMS>
.DELTA.1(2)-TRANS-CANNABIDIOL; (−)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol; (−)-trans-cannabidiol; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol; Cannabidiol; CBD; Δ1(2)-trans-cannabidiol

> <PRODUCTS>
Cybid 10; Cybid 15; Cybid 2.5; Cybid 5.0; Cybid 7.5; Dynabac 5.0; Epidiolex; Epidyolex; Kaydia Patch; NanoCDB; Sativex; leafPro CBDmed Oil FS QP 20%; leafPro CBDmed Oil FS QP 3%; leafPro CBDmed Oil FS QP 5%; leafPro CBDmed Oil T-FS QD 20%; leafPro CBDmed Oil T-FS QD 3%; leafPro CBDmed Oil T-FS QD 5%; leafPro CBDmed Softgels FS QP 20; leafPro CBDmed Softgels T-FS QD 20

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