ID: 95068
SMILES:C12(CC=C(C=O)CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.343
InChIKey:JSWSTHPTTOPODK-UHFFFAOYSA-N
ID: 95069
SMILES:C1(=O)C2(C)C(C)(C)C(CC2)C(C)C1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.44
InChIKey:UWBDHYNXTZEHEH-UHFFFAOYSA-N
ID: 95070
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 95071
SMILES:O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C(=O)O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.728
InChIKey:OQQOBIXGOPXIDD-UHFFFAOYSA-N
ID: 95072
SMILES:C(CCCc1cc(O)c2c(c1)C(C)(C)Oc1c2cc(O)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.45
InChIKey:USBYAKOWNXUWHY-UHFFFAOYSA-N
ID: 95073
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -19.059
InChIKey:JMYBKJCCJUGSCY-UHFFFAOYSA-N
ID: 95074
SMILES:C(C1(C)C(c2c(OC(C)=O)cc(CCCCC)cc2OC)OC(=O)C1)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.409
InChIKey:KUQMTJNTXDKCJO-UHFFFAOYSA-N
ID: 95075
SMILES:C1CC(C=O)=CC(O)C12C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.333
InChIKey:PXNPKHZNICJFKF-UHFFFAOYSA-N
ID: 95076
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)OC)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.17
InChIKey:NMCXBKUPLNCUNR-UHFFFAOYSA-N
ID: 95077
SMILES:c1(O)cc(CCCCC)cc2c1C1=C(C(C)(C)O2)CCC(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 95078
SMILES:C1(C)(C)C2C3(c4c(O)cc(C(C)(C)OC)cc4O1)CC(Br)C(C)(Cl)CC3O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 459.808
CB1 binding score: -13.933
InChIKey:SOZULNVYHCTABA-UHFFFAOYSA-N
ID: 95079
SMILES:C1(=Cc2ccccc2)C2C(C(C)C)C3c4c(c5c(c(O)c4C)C=CC(C)(C)O5)OC(C)(C)C3CC1(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.707
CB1 binding score: -16.08
InChIKey:DZZPMVMNQFEURY-UHFFFAOYSA-N
ID: 95080
SMILES:C1(=C)CCC(C(C)=C)C1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.407
InChIKey:VNIUGCTZKWVHFV-UHFFFAOYSA-N
ID: 95081
SMILES:CC(C)=C1CC2C(C)(C)Oc3c(c(O)c(C=O)c(C(O)C(O)C)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: Not available
InChIKey:NPSVIKBKWFFZAE-UHFFFAOYSA-N
ID: 95082
SMILES:C(C(C)C)Cc1cc(C(=O)O)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -15.643
InChIKey:JKMQMDKSMSQOCH-UHFFFAOYSA-N
ID: 95083
SMILES:C(Cc1cc(O)cc(CC=C(C)C)c1O)=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 95084
SMILES:c1c(CCCCC)cc2c(c1O)CC(O)C(O)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.962
InChIKey:IXBNCWCJYGPCQP-UHFFFAOYSA-N
ID: 95085
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCc3c(cc(O)c(C(C)C)c3)C2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.593
InChIKey:BSAOKXDZSJDBOW-UHFFFAOYSA-N
ID: 95086
SMILES:CC1(C)C2CCC3(C)Oc4c(c(O)c(C(C)=O)c(CCCCC)c4)C13CCC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.966
InChIKey:JWPUKRUZRBNELK-UHFFFAOYSA-N
ID: 95087
SMILES:c1(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 95088
SMILES:c1(CCCCC)ccc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.141
InChIKey:XFSLHYHFWBPGED-UHFFFAOYSA-N