ID: 39859
SMILES:CC(OCc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.915
InChIKey:YXHZGBPLYUKVLM-UHFFFAOYSA-N
ID: 39860
SMILES:CC(C1C2(Oc3c(c(O)cc(CCC)c3)C2)C(C)CCC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15
InChIKey:UVNOQVPMUINLLG-UHFFFAOYSA-N
ID: 39861
SMILES:Cc1c(C(C=Cc2ccccc2)OC)c2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
CB1 binding score: -12.798
InChIKey:GCQRQCKDVZLNNI-UHFFFAOYSA-N
ID: 39862
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CCC(C(=O)CC=C(C)C)(C)C3C4OC(=O)C(=C4O)C(=O)C(O)=C(C)C1(O)C23
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.674
CB1 binding score: -14.793
InChIKey:UHEMVFBNNGNWOZ-UHFFFAOYSA-N
ID: 39863
SMILES:C12C(C)(C)Oc3c(c(O)cc(C)c3)C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.796
InChIKey:XLEJINBZSOFAKC-UHFFFAOYSA-N
ID: 39864
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C(OC)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.374
InChIKey:FJPBEEZINPTNBC-UHFFFAOYSA-N
ID: 39865
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 39866
SMILES:C1CC(C(O)=O)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.605
InChIKey:FKOKPCOQLHSURS-UHFFFAOYSA-N
ID: 39867
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 39868
SMILES:c1(C=O)c(O)c(Cl)c(C)c2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.891
CB1 binding score: -13.151
InChIKey:UYJFYRGERCZQKW-UHFFFAOYSA-N
ID: 39869
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1=CC(=O)C(CO)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.956
InChIKey:FQYZYVJXHPKGPE-UHFFFAOYSA-N
ID: 39870
SMILES:C=C(C)C1CCC(=C)CC1c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -16.848
InChIKey:ANXXNDWTOAAWSS-UHFFFAOYSA-N
ID: 39871
SMILES:C1C2(O)CC3(CO)C4(CO4)C2CCC3(C)Oc2cc(CCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.076
InChIKey:OAEBGCWFBRGBLX-UHFFFAOYSA-N
ID: 39872
SMILES:C1(=O)C2C(C)(CCC(O)C2(C)C)Oc2c(c(O)cc(C(C)(CCCC)C(O)=O)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.529
CB1 binding score: -17.309
InChIKey:HXYWAELQRIKRBL-UHFFFAOYSA-N
ID: 39873
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.55
InChIKey:DFOFAHOIZTXRJV-UHFFFAOYSA-N
ID: 39874
SMILES:CC1=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: 39875
SMILES:C1(O)C(Oc2c(O)cc3c(c2CCCCC)OC(C)(C)C2C3C=C(C)CC2)OCC(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.583
CB1 binding score: -16.4
InChIKey:GUYSCGTWCIWZMZ-UHFFFAOYSA-N
ID: 39876
SMILES:COc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.087
InChIKey:CIXTXDZHPYTOAX-UHFFFAOYSA-N
ID: 39877
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 39878
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(O)C(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 39879
SMILES:Oc1c(C=O)c(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.059
InChIKey:IVRCBDVTRVUPTL-UHFFFAOYSA-N