ID: 13021
SMILES:O=C(OC)c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.338
InChIKey:SHHGELTYSYENIH-UHFFFAOYSA-N
ID: 13022
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 13023
SMILES:C(C1C23C(C)(C)OC4OC(=O)c5c4c(c(C)c(O)c2)OC(C)(CC1)C35)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.271
InChIKey:UNHAHNZKRCQDDB-UHFFFAOYSA-N
ID: 13024
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 13025
SMILES:C(OCCC1=CC2c3c(cc(CCCCC)cc3OCOCCCl)CC(C)C2OC1=O)(=O)Cl
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 499.431
CB1 binding score: -15.367
InChIKey:GAGQPWFFMBGTSY-UHFFFAOYSA-N
ID: 13026
SMILES:C(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 13027
SMILES:O=c1c2c(oc(CCCCC)c1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.929
InChIKey:XTZXEJZGLXDPQU-UHFFFAOYSA-N
ID: 13028
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CCC(C(=C)C)C(CCC(=CCO)C)(C)C2=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -13.713
InChIKey:KKSAZCAUUAJIKT-UHFFFAOYSA-N
ID: 13029
SMILES:O(c1cc(CCCCC)cc2c1C1C=C(C(=O)O)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.653
InChIKey:BAGPGAFXJCAFPS-UHFFFAOYSA-N
ID: 13030
SMILES:Cc1cc2c(cc1OC)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.252
InChIKey:SHHNVRWDEUCONM-UHFFFAOYSA-N
ID: 13031
SMILES:C1=C(C)C2c3c(cc(CCCCC)c(C(=O)OC)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.948
InChIKey:VMHRLHZEWYIQMK-UHFFFAOYSA-N
ID: 13032
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 13033
SMILES:c1(C(=O)O)c(CCCCC)cc2c(c1O)C1CC(C)(O2)N(CC)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 333.428
CB1 binding score: -16.49
InChIKey:TYIRJCPZQTYQJO-UHFFFAOYSA-N
ID: 13034
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)c(O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 13035
SMILES:C1(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)CCC(C)(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.638
InChIKey:FIBPTEVXGBHBQG-UHFFFAOYSA-N
ID: 13036
SMILES:COc1c(C(OC)=O)c(CCCCC)cc2c1OC1(C)CC2C(=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.506
InChIKey:JCMXGWLMVRVBAF-UHFFFAOYSA-N
ID: 13037
SMILES:Oc1cc(CC)cc(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -17.029
InChIKey:ROYPWYNWSNTAGT-UHFFFAOYSA-N
ID: 13038
SMILES:CC(=O)Oc1cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.267
InChIKey:ZKDFDGJCJAKSMH-UHFFFAOYSA-N
ID: 13039
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 13040
SMILES:C(CC)CCc1cc(=O)oc2cc(O)c3c(c21)OC(C)(C)C1CCC(C)=CC13
Pathway: Polyketides;Shikimates and Phenylpropanoids
Superclass: Meroterpenoids;Coumarins
Class: Cannabinoids;Simple coumarins
MW: 382.5
CB1 binding score: -15.434
InChIKey:FTZVBHYNLULSEC-UHFFFAOYSA-N
ID: 13041
SMILES:C(=C)(C1C2c3c(cc(OC)cc3)OC(C)(C)C2C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -14.951
InChIKey:VRGBAMQPSRXSJK-UHFFFAOYSA-N