ID: 89419
SMILES:C1C2C(O)(C(=O)CC13CO3)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.015
InChIKey:AFKKPXRTMGOIFM-UHFFFAOYSA-N
ID: 89420
SMILES:C1C2C(C)(C)CCCC2(O)Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.014
InChIKey:UMOCUBUAYGGDNM-UHFFFAOYSA-N
ID: 89421
SMILES:CCCCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 89422
SMILES:Oc1cc(CCc2ccc(O)cc2)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -16.996
InChIKey:DDTKDQHWVPTYKE-UHFFFAOYSA-N
ID: 89423
SMILES:C1(C(O)=O)=CC2C(CC1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 89424
SMILES:c1(C)c(CCCCC)cc2c(c1O)C1C(C(C)C)(CC3C(=C)CCC(O)C3(C)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -11.9
InChIKey:GZSXNXGBDMXJKG-UHFFFAOYSA-N
ID: 89425
SMILES:Oc1c(C(C(CC)C)=O)c2c(c(O)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -17.319
InChIKey:IAMXFKKYIPFVRK-UHFFFAOYSA-N
ID: 89426
SMILES:C1(O)C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(COC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -17.144
InChIKey:HDCQAOSVRVXQGM-UHFFFAOYSA-N
ID: 89427
SMILES:CCCCc1ccc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.751
InChIKey:VTQUXGAPYAWVKW-UHFFFAOYSA-N
ID: 89428
SMILES:C1(C)=CCCC(C)(C)C1c1c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -16.527
InChIKey:IRSCXLLMKLNGCE-UHFFFAOYSA-N
ID: 89429
SMILES:C1(C)(C)C2C(c3c(O)cc(CCCCC)cc31)OC1CC(=O)C(C)=C1CC2CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -12.608
InChIKey:VCDHDKQVPQVYJN-UHFFFAOYSA-N
ID: 89430
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.466
InChIKey:MHOUVBFCODMNHK-UHFFFAOYSA-N
ID: 89431
SMILES:C=C(C=CCC(=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.746
InChIKey:SAVHMKMRPFLBRI-UHFFFAOYSA-N
ID: 89432
SMILES:C1=CC(C)(C)Oc2c(Br)c(CCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.273
CB1 binding score: -15.391
InChIKey:WCIUHYBDVSAJSK-UHFFFAOYSA-N
ID: 89433
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2cc(O)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 89434
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C(C)C)C3C(CCCC(C)(C)O)(C2=C1O)C3=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 454.651
CB1 binding score: -16.502
InChIKey:OALIPSJUHMUZTC-UHFFFAOYSA-N
ID: 89435
SMILES:C(CCCC)CCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(O)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.933
InChIKey:IRVXCZUMXANURP-UHFFFAOYSA-N
ID: 89436
SMILES:CC(CCC=C(C)C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 89437
SMILES:c1(O)cc(CCCC)c2c(c1)OC(C)(C)C1=C2C(OC)C(C=CC=C(CCC=C(C)C)C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -13.95
InChIKey:ZSNMGUMSQLBQJC-UHFFFAOYSA-N
ID: 89438
SMILES:c1c(C(=O)CC(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.869
InChIKey:LCBKYSTWWDBYNN-UHFFFAOYSA-N
ID: 89439
SMILES:C1(C(c2c(O)cc(CCCCC)cc2)=O)C(C(=C)C)C(C)(C=C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.29
InChIKey:CEKLMHBSNQVZFR-UHFFFAOYSA-N