Cannabidiol
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular Identity
Cannabidiol
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
PubChem CID: 644019
Cannabidiol is an cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. It has a role as an antimicrobial agent and a plant metabolite. It is a member of resorcinols, a phytocannabinoid and an olefinic compound.
2D Structure
Properties
C21H30O2
Molecular Formula
314.50
Molecular Weight
g/mol
314.2246
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
414
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)OIsomeric SMILES
SMILES: CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)OSynonyms(20)
cannabidiol13956-29-1(-)-Cannabidiol(-)-trans-CannabidiolEpidiolexGWP42003-Pdelta1(2)-trans-CannabidiolCARDIOLRXcannabidiolum(-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol19GBJ60SN5CHEBI:69478DTXSID00871959BTX-1204BTX-1503
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cannabidiol
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