tetrahydrocannabinol Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

628.94

ALogP

5.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1.CCCCCc3cc(O)c4[C@@H]5C=C(C)CC[C@H]5C(C)(C)Oc4c3
  • InChIKey: SSNHGLKFJISNTR-DYSNNVSPSA-N
    InChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3833333   ChEMBL
nabiximols *

CHEMBL465   ChEMBL
dronabinol

Nabiximols   Wikipedia

Tetrahydrocannabinol   Wikipedia

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