ID: 16864
SMILES:CCCCCCc1cc2c(c(O)c1)C1C3C(C4(C)CCC(OC(C)=O)(C(C)C)C4C21)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
Predicted CB1 binding score: -15.099
InChIKey:OVEXLYJOIPXZLY-UHFFFAOYSA-N
ID: 16865
SMILES:CC(OC1C(C(C)C)CCC2(C)Oc3c4c(cc(CCCCC)c3)OC(C)(C)C1C4C=C(C)C2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
Predicted CB1 binding score: -15.421
InChIKey:NTECWXYBEZLSKA-UHFFFAOYSA-N
ID: 16866
SMILES:C(C)(C)=CCCC(=CCc1c(O)cc(CCC)c(C(=O)O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
Predicted CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 16867
SMILES:CC1(C(COC(C)=O)OC(=O)C)CC2(C=C1)C(C)=CC(=CC(Cl)C(CCCc1cc(OC(C)=O)c(C)c(O)c1)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 587.153
Predicted CB1 binding score: -16.336
InChIKey:DGCKMJOSCXBQMP-UHFFFAOYSA-N
ID: 16868
SMILES:C1(CCC=C(CCC2OC2(C)C)C)=Cc2c(cc(O)cc2C)CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
Predicted CB1 binding score: -13.242
InChIKey:WAQKQIVYPSFSEU-UHFFFAOYSA-N
ID: 16869
SMILES:CC(c1cc2c3c(c1)OC(C)(C)CC3c1c-2cc(CCC(=O)C=CCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
Predicted CB1 binding score: -14.45
InChIKey:QGJVXSLCOSWTTB-UHFFFAOYSA-N
ID: 16870
SMILES:C1(Cc2c(O)cc(CCCCC)cc2O)C(C)(O)CCC2C(C)(C)CCCC21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
Predicted CB1 binding score: -16.777
InChIKey:NSLRLRLKYZPEPW-UHFFFAOYSA-N
ID: 16871
SMILES:CNCc1cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 303.402
Predicted CB1 binding score: -14.733
InChIKey:CSOVAAPKBZEWLJ-UHFFFAOYSA-N
ID: 16872
SMILES:Cc1c(C(=O)CC(C)C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
Predicted CB1 binding score: -16.601
InChIKey:KJAIMGLTPHPQEA-UHFFFAOYSA-N
ID: 16873
SMILES:C(C(C)=CCc1c(O)cc(CCCC)cc1O)CC(O)C(O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.472
Predicted CB1 binding score: -18.108
InChIKey:VDWMZOOOCYUDDK-UHFFFAOYSA-N
ID: 16874
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C1(C)C(=C2)C(=O)C(O)=C1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
Predicted CB1 binding score: -14.115
InChIKey:IONAMUAVOWTYQQ-UHFFFAOYSA-N
ID: 16875
SMILES:c1(OC)c(C)c(=O)c(C(C(CC)C)=O)c(OC(CCC)=O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
Predicted CB1 binding score: -15.925
InChIKey:ZJJQEWZHOZRKMP-UHFFFAOYSA-N
ID: 16876
SMILES:C(CC)CCc1cc(O)c2c(c1C=O)OC(CCC=C(C)C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
Predicted CB1 binding score: -15.081
InChIKey:CIYTVCPQVSJZJY-UHFFFAOYSA-N
ID: 16877
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
Predicted CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 16878
SMILES:C1C(C)(O)C2CC(CC2)C(C)(C)Oc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
Predicted CB1 binding score: -11.124
InChIKey:UGLBRKZDTOZNCK-UHFFFAOYSA-N
ID: 16879
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
Predicted CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 16880
SMILES:c1c(OC)c(CCCCC)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
Predicted CB1 binding score: -18.244
InChIKey:GDCMXBNPYXPZLN-UHFFFAOYSA-N
ID: 16881
SMILES:O1C(C)(CC(=O)C=C(C)C)C=Cc2cc(O)c3c(c21)OC(C)(C)C1CC=C(C)C(O)C(C)=C31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
Predicted CB1 binding score: -15.198
InChIKey:NCZGFIBTTVRNNC-UHFFFAOYSA-N
ID: 16882
SMILES:C12C3C(C(C)C)C3C(C)(C1)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
Predicted CB1 binding score: -16.023
InChIKey:RZAWPIHUVRUTAO-UHFFFAOYSA-N
ID: 16883
SMILES:C(c1cc(O)c(CC2OC2(C)C)cc1-c1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC1=C2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.679
Predicted CB1 binding score: Not available
InChIKey:CJVMLRSODJRCQH-UHFFFAOYSA-N
ID: 16884
SMILES:Cc1c(O)ccc2c1OC(C)(CCC=C(CCC1C(C)(C)O1)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
Predicted CB1 binding score: -16.543
InChIKey:OGCFIZOSWFFRSF-UHFFFAOYSA-N