ID: 81082
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)c1c2c(C)c(O)c(O)c1C(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.246
InChIKey:RMJDXEVCEFABLD-UHFFFAOYSA-N
ID: 81083
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 81084
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C)(C=CC=C1C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.56
InChIKey:ZTFRNGDLQPRWJS-UHFFFAOYSA-N
ID: 81085
SMILES:CC(C)C1C2C(CCC2c2c(O)cc(CCCCC)cc2O)C(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.254
InChIKey:GPIBWIJDPJZBSN-UHFFFAOYSA-N
ID: 81086
SMILES:C(CCCC)c1cc(O)c2c(c1O)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.694
InChIKey:NEHLYNVNPXKHCM-UHFFFAOYSA-N
ID: 81087
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 81088
SMILES:C1(C)=CC(c2c(O)cc(CC)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.748
InChIKey:LLAAZDYTZYGRPH-UHFFFAOYSA-N
ID: 81089
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -18.878
InChIKey:FFUOIIAZJYKITL-UHFFFAOYSA-N
ID: 81090
SMILES:c12cc(CCCCC)cc(O)c1C1C(CC(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.479
InChIKey:LBIQTJYHOQJYJR-UHFFFAOYSA-N
ID: 81091
SMILES:C(Cc1c(O)c(C(=O)CCC)c2c(c1O)OC(C)(C)C1CCC(C)=CC12)=CCC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -16.629
InChIKey:ORBKVKMPZPJFCT-UHFFFAOYSA-N
ID: 81092
SMILES:O(C)C(CCC(O)c1cc(O)c(CC=C(C)C)c2c1OC(C)(C)C1=CCC(C)=C1C2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -12.385
InChIKey:PKLYBEBOJCKYKK-UHFFFAOYSA-N
ID: 81093
SMILES:CC(=CCC12C(C(C(=O)C(=CC)C)OC1c1cc3c(c(C=S)c1O)OC(C)(C)C=C3)CCC(CCCC(O)(C)C)=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.842
CB1 binding score: -16.118
InChIKey:SADXSOFAORZYFC-UHFFFAOYSA-N
ID: 81094
SMILES:Oc1cc(CCC)cc2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 81095
SMILES:C1CC(C(C)C)c2c(cc(CCCCC)cc2O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 286.459
CB1 binding score: -15.288
InChIKey:ABWLEKMNPABKDU-UHFFFAOYSA-N
ID: 81096
SMILES:C(C1CC=C(C)CC1c1c(O)cc(CCCCC[N+](C)(C)C)cc1)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.661
CB1 binding score: -14.294
InChIKey:CCUNAQHZBMFEIF-UHFFFAOYSA-O
ID: 81097
SMILES:C(Cl)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.848
CB1 binding score: -15.394
InChIKey:KMXCFQHJDIGPRY-UHFFFAOYSA-N
ID: 81098
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c(C(=O)C(C)C)c(OC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.006
InChIKey:DXEOJTIQDISZFX-UHFFFAOYSA-N
ID: 81099
SMILES:CC1(C)OC2c3c(cc(O)c(C)c3C=C=C(C)C)OC(CO)(C)C3CCC2(C)C31
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.607
InChIKey:DTVMXISHCIICRN-UHFFFAOYSA-N
ID: 81100
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 81101
SMILES:C1(C(C)=C)C(c2c(CCCCC)cc(O)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.553
InChIKey:FQGMZWMPXDJYND-UHFFFAOYSA-N
ID: 81102
SMILES:C(Cc1cc(OC)c2c(c1)OC(C)(C)C1=CC2(C)CC1)=CC(C)(C)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.916
InChIKey:UPHOYULEJQYOJK-UHFFFAOYSA-N