ID: 39061
SMILES:C1C2(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(=O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.545
InChIKey:QIHYOPUKKJRONU-UHFFFAOYSA-N
ID: 39062
SMILES:C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39063
SMILES:c1c(C2C(C(C)=C)C(c3c(O)c(C(OC)=O)c(CCCCC)cc3O)C=C2C)ccc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -14.477
InChIKey:CBZSVROSXNSSCE-UHFFFAOYSA-N
ID: 39064
SMILES:Oc1c2c(cc(CCC)c1)OC(C)(C)C1=C2CC(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.155
InChIKey:SWBMWFGNFZCROR-UHFFFAOYSA-N
ID: 39065
SMILES:O=C1OC2C3(C)C(CCCC(OC(=O)C)(C)C)C1c1c(cc(C)cc1O)C2C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -15.413
InChIKey:NXOYITSHGVDTDR-UHFFFAOYSA-N
ID: 39066
SMILES:C1C2c3c(cc(CCCCC)cc13)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -15.998
InChIKey:MJVAFJINRWTJBT-UHFFFAOYSA-N
ID: 39067
SMILES:c1(C(O)=O)cc(CCCCC)cc2c1OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.258
InChIKey:NGSNIYKMOZSYBI-UHFFFAOYSA-N
ID: 39068
SMILES:OCCCc1cc(O)c(CC=C(C)CCC=C(C(O)=O)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.519
InChIKey:YBCVVEQESOCWGP-UHFFFAOYSA-N
ID: 39069
SMILES:C1C23C(C(C)(C)CCC2O)CC1c1c(O)cc(CCCCC)cc1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.078
InChIKey:DTOJQGALVFQZOW-UHFFFAOYSA-N
ID: 39070
SMILES:c1(C(=O)c2c(O)cc(O)c3c2CC(C(C)C)C3CC(O)(C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -14.214
InChIKey:PTWWQGLGKROXHP-UHFFFAOYSA-N
ID: 39071
SMILES:C(C)(OC12c3c(cc(CCCC)cc3O)OC(C)(C)C1CCC2C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -12.478
InChIKey:VBZSIESJIRCATH-UHFFFAOYSA-N
ID: 39072
SMILES:C(CO)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.316
InChIKey:ASBRUORUZCZNEX-UHFFFAOYSA-N
ID: 39073
SMILES:C1(C)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.339
InChIKey:PZNRWBCRBWBFBH-UHFFFAOYSA-N
ID: 39074
SMILES:C1C(Br)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1Cl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 375.734
CB1 binding score: -15.982
InChIKey:GZLZDXVTODTDEI-UHFFFAOYSA-N
ID: 39075
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 39076
SMILES:C(CC(=O)OCc1c(O)c(C(CC(C)C)=O)c2c(c1C)OC(C)(C)C1CCC(C)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -16.356
InChIKey:FRQGYWBYIJVACM-UHFFFAOYSA-N
ID: 39077
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 39078
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 39079
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 39080
SMILES:CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 39081
SMILES:C1CC2C(COC)=C(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.733
InChIKey:YKODMJSBPNQBEW-UHFFFAOYSA-N