ID: 43681
SMILES:OS(=O)(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.533
CB1 binding score: -16.725
InChIKey:LLJYZJLJRMOGEK-UHFFFAOYSA-N
ID: 43682
SMILES:C(CCC=C(C)C)(Cc1c(O)cc(CCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.995
InChIKey:WBCCMFWCYZNIJS-UHFFFAOYSA-N
ID: 43683
SMILES:C(O)=C(C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.384
InChIKey:FLDUCONQTLNLCG-UHFFFAOYSA-N
ID: 43684
SMILES:C(CC)CCCc1cc2c(cc1C)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.631
InChIKey:WBQZIQQTUQEOOF-UHFFFAOYSA-N
ID: 43685
SMILES:C1(=O)C2(CCCC2(C)C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.422
InChIKey:ZPEJEFSGRIAELT-UHFFFAOYSA-N
ID: 43686
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OCC(C)C)C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.319
InChIKey:SPODFYUEVMGWER-UHFFFAOYSA-N
ID: 43687
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)CCC1C(C)(C)C(O)CCC21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.5
InChIKey:ZXJPFXZHBXRYLJ-UHFFFAOYSA-N
ID: 43688
SMILES:O(C)C(C(C)=CCCC1(C)Oc2c(C=O)c(OC)cc(CCCCC)c2C=C1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.929
InChIKey:VCOFRUKUTOXZBM-UHFFFAOYSA-N
ID: 43689
SMILES:O1C(O)C(O)C(O)C(O)C1OCC1OC(OC2C(C)(C)Oc3cc(CCCCC)cc(O)c32)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.593
CB1 binding score: -16.344
InChIKey:JTWPJEASLPHHHF-UHFFFAOYSA-N
ID: 43690
SMILES:OC(C(C(=O)O)CCCCc1c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C)(O)C21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -18.142
InChIKey:AGWOBOUMFHAXEV-UHFFFAOYSA-N
ID: 43691
SMILES:CC1(C)C2CC=C(C)CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 43692
SMILES:C1(=O)Oc2c(c(O)cc(CCCCC)c2)C2C1C(CCC=C(C)C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.608
InChIKey:DZEZOCJBWVQCPK-UHFFFAOYSA-N
ID: 43693
SMILES:C(C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 43694
SMILES:CC(=CCc1c(O)cc(CC)c(O)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.652
InChIKey:GFZBDSMMEKEACG-UHFFFAOYSA-N
ID: 43695
SMILES:c1(O)cc(O)c(C(=O)C(CC)C)c2c1C1C(C)(O)CCC1(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.438
CB1 binding score: -16.438
InChIKey:QZYFGRBAEXLJFT-UHFFFAOYSA-N
ID: 43696
SMILES:CC(C)=CCOc1cc(O)c(C(=O)C(C)C)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.346
InChIKey:KEPNBXXWOFNKHL-UHFFFAOYSA-N
ID: 43697
SMILES:O[n+]1c(CCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.438
CB1 binding score: -13.55
InChIKey:KCTCRBSNQBKZQR-UHFFFAOYSA-O
ID: 43698
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.196
InChIKey:HQWTZGLRGCSGTB-UHFFFAOYSA-N
ID: 43699
SMILES:C1(C)(C=C(CC(C)=CCc2c(O)c(C)cc(OC)c2)O)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.229
InChIKey:YLNZHUBMRDOVKW-UHFFFAOYSA-N
ID: 43700
SMILES:CC(=CCC1OC(CC=C(C=CCC(C)=CCc2c(O)c(C)cc(OC)c2)C)=CC1c1ccccc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.707
CB1 binding score: -14.504
InChIKey:QRLRSNPXNGNNMI-UHFFFAOYSA-N
ID: 43701
SMILES:C1=CC(C(C)C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.279
InChIKey:PVRCCQYSTMEWLZ-UHFFFAOYSA-N