ID: 84106
SMILES:C(c1c(O)c2c(cc1C#CCCCCC)C1C(CCC(C)=C1)C(C)(C)O2)C1C(C)CC(C)CO1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -13.143
InChIKey:CBKRJKPYYLLESL-UHFFFAOYSA-N
ID: 84107
SMILES:c12cc(CCCC(O)(C)C=C)c(C)cc1C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -15.894
InChIKey:GJBPBXWGTDNZRH-UHFFFAOYSA-N
ID: 84108
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 84109
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC1(C)C(C(O)(C)CCC2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -13.46
InChIKey:TXTBKRHWJWBZDL-UHFFFAOYSA-N
ID: 84110
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 84111
SMILES:CC(Oc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.127
InChIKey:JZZHXSIRDHGYSQ-UHFFFAOYSA-N
ID: 84112
SMILES:C1(C)=CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.379
InChIKey:SGSNKVYFBOJVAH-UHFFFAOYSA-N
ID: 84113
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=C1CC(C)(C)OC2(C)C(C1)C2(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.809
CB1 binding score: -15.76
InChIKey:OJVUGRCPQXIDEK-UHFFFAOYSA-N
ID: 84114
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.944
InChIKey:WDXOOGMODFDIJI-UHFFFAOYSA-N
ID: 84115
SMILES:COc1cc2c(cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.792
InChIKey:PTRUQZFKQPKEPN-UHFFFAOYSA-N
ID: 84116
SMILES:c1(C=CCO)c(CCCCC)cc2c(c1O)C1CC(C)(O2)CCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.582
InChIKey:VMEDCWKGWQELNU-UHFFFAOYSA-N
ID: 84117
SMILES:C1(C)=CC2c3c(cc(C)cc3O)OC(CO)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.452
InChIKey:LZANUOIMJUQUMM-UHFFFAOYSA-N
ID: 84118
SMILES:C12C(C(C)(C)Oc3c1c(OC)cc(CCCCC)c3)C1C3C(CCC3(C)OC2C)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.025
InChIKey:JQZGNZRHGRMTQN-UHFFFAOYSA-N
ID: 84119
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C13C(=C(C(O)=O)C(C=O)C21)C=C3)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.44
CB1 binding score: -15.713
InChIKey:NAODMFMXNNDPRB-UHFFFAOYSA-N
ID: 84120
SMILES:c1cc(O)ccc1C1C(C)C(C)(C)OC2=C1CCC(C(=C)C)C2(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -15.628
InChIKey:AMUCNRSJSJAXMQ-UHFFFAOYSA-N
ID: 84121
SMILES:C(CC)Cc1ccc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 84122
SMILES:O(C(C)=O)Cc1cc2c3c(c1)OC(C)(C)C1C2C(C)(O3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.066
InChIKey:FKJVOFYPMSXQQO-UHFFFAOYSA-N
ID: 84123
SMILES:Oc1c(C(CC2OC(=O)C(C)C2)CO)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.7
InChIKey:WIWBGVWXAMYDTN-UHFFFAOYSA-N
ID: 84124
SMILES:C(=C(C)CCC=C(C)C)CC1(C(=O)CC)Oc2c(c(O)cc(CCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.528
InChIKey:AWHHEBJSKUKQCU-UHFFFAOYSA-N
ID: 84125
SMILES:C1C2C=C(C)CCC2C(C)(C)Oc2cc(CCCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.166
InChIKey:GIVAINCGMWLFTI-UHFFFAOYSA-N
ID: 84126
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC=CCCCCCCC)c2)-c2c1c(O)c(OC)c(C)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.468
InChIKey:DJNJBLFSNFUEEC-UHFFFAOYSA-N