ID: 86101
SMILES:O=C(C=C(C(=O)OC)C)OC1CC(C)=CCC2C(C)(C)Oc3cc(CCCCC)ccc3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.848
InChIKey:KHASXTIJJGCFJA-UHFFFAOYSA-N
ID: 86102
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 86103
SMILES:CC(C)C(c1cc(C2C=C(C)CCC2C(=C)C)c(OC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.502
InChIKey:YMVVGCNZOPSBNU-UHFFFAOYSA-N
ID: 86104
SMILES:c1c([CH])c(C(=O)OCC(C)(O)CC)c(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -17.818
InChIKey:LZUXDAJNSNBFGE-UHFFFAOYSA-N
ID: 86105
SMILES:CC1CC=C(C(C)C)C(c2c(O)cc(CCCCC)cc2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.478
InChIKey:RIRVWFPODCPOEH-UHFFFAOYSA-N
ID: 86106
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -20.675
InChIKey:BDWDYBVEQSXMCM-UHFFFAOYSA-N
ID: 86107
SMILES:C12(C(C(=O)O)CCO1)Oc1c(c(O)cc(CCCCC)c1)C2CC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -13.125
InChIKey:MXMYLOBKNAJZBS-UHFFFAOYSA-N
ID: 86108
SMILES:CC1C2C(c3c(cc(CCCCC)cc3O)O1)OC(C(=O)CC)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.09
InChIKey:LSNAKGYTPMITJP-UHFFFAOYSA-N
ID: 86109
SMILES:C1(C)=C(C)C23CCC(C)C2C(=O)C1(O)Oc1c3c(O)cc(C(C)(CCCC(C)C)OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.007
InChIKey:YMEYMNHSUMFDPX-UHFFFAOYSA-N
ID: 86110
SMILES:C12C(C)C(C)=C3CC(C)(O)C3C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.353
InChIKey:WWRVFGZZEKLIMR-UHFFFAOYSA-N
ID: 86111
SMILES:c1(CCCCC)cc(OC)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 86112
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(O)CC1(O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -12.792
InChIKey:ZXBMMMRUKCBDSH-UHFFFAOYSA-N
ID: 86113
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.3
InChIKey:OOHJDYANEQMYNJ-UHFFFAOYSA-N
ID: 86114
SMILES:C(=CCCC(C)=CCc1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.574
InChIKey:WUZCLJROYJYDSO-UHFFFAOYSA-N
ID: 86115
SMILES:C1(C=CC=CC)C(C(OC)=O)=Cc2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -18.251
InChIKey:ULSSLXXHOJVWPO-UHFFFAOYSA-N
ID: 86116
SMILES:Oc1cc(CCCCC)cc(CC=C(CO)CCC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.17
InChIKey:YRHJMJLLFHCBLS-UHFFFAOYSA-N
ID: 86117
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -14.879
InChIKey:HHCCZLUJLGRAML-UHFFFAOYSA-N
ID: 86118
SMILES:c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 86119
SMILES:C(C)CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 86120
SMILES:O1C(C)(C)C(C(O)(CC(C)C)c2c(C(=O)OC)cc3c(c2O)CC2C(C(=C)C)CCC(C)(O3)C2Cc2c(O)c(C)cc(OC(=O)C)c2)CCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 720.944
CB1 binding score: -11.745
InChIKey:AGEIIQYYFVCVPO-UHFFFAOYSA-N
ID: 86121
SMILES:c1(CCCCC)c(O)c2c(c(O)c1C)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.303
InChIKey:BFHQJTSXOZZJCT-UHFFFAOYSA-N