ID: 86458
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)C2)cc1O)CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.827
InChIKey:PEQRUQBIEVCEIO-UHFFFAOYSA-N
ID: 86459
SMILES:C1(CO)=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.9
InChIKey:UWBCYGUAEGZJRC-UHFFFAOYSA-N
ID: 86460
SMILES:OC(Cc1ccc(O)cc1)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.484
CB1 binding score: -14.961
InChIKey:ZSAADGGBFJICDF-UHFFFAOYSA-N
ID: 86461
SMILES:C1(C)(C)C2=C(c3c(cc(CCCCC)cc3O)O1)C(O)C(C)CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.438
InChIKey:ZXYFOYIOSXQFPU-UHFFFAOYSA-N
ID: 86462
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C3OC3(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.545
InChIKey:JDWQITNQFSNZOK-UHFFFAOYSA-N
ID: 86463
SMILES:C(c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.081
InChIKey:RRTAMPKAKNBFDX-UHFFFAOYSA-N
ID: 86464
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 86465
SMILES:C1C(C)(C)C2C(c3c(cc(CCCCC)c(C(OC)=O)c3O)O1)CC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -11.618
InChIKey:OUKJBMBIMCAVJT-UHFFFAOYSA-N
ID: 86466
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(CCC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.288
InChIKey:IKCIBRQINWPOQF-UHFFFAOYSA-N
ID: 86467
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.593
InChIKey:RHRYIQNXICLAPT-UHFFFAOYSA-N
ID: 86468
SMILES:C=CCCCc1cc2c(c(O)c1C)OC(C)(C)C1C2C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.198
InChIKey:VAXAVDSJIPTSGK-UHFFFAOYSA-N
ID: 86469
SMILES:c1(C=CCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.881
InChIKey:JDHGICMWRLFPTC-UHFFFAOYSA-N
ID: 86470
SMILES:CC(=O)OC1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)c2c(cc(OC)c(C)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -15.929
InChIKey:CBRLTTDIKZLPJJ-UHFFFAOYSA-N
ID: 86471
SMILES:C(c1ccc2c(c1)OC(CC(O)CC(CC)C)(C)CC2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -15.421
InChIKey:LABWYYWFTGTUHU-UHFFFAOYSA-N
ID: 86472
SMILES:c1(C(C(C(C)(C)CC=C(C)C)O)OC(CC(=C)C=C)=O)c(O)cc2c(c1)OC(CO)C1(C)C2C(CC)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -15.434
InChIKey:RHRJFTZEMQOXJF-UHFFFAOYSA-N
ID: 86473
SMILES:CC(C)C1=CC(=O)C(=C)CC1c1c(O)c(C(=O)OC)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.162
InChIKey:CIICULVVSBZRIC-UHFFFAOYSA-N
ID: 86474
SMILES:c12c(c(O)c(C(O)CCl)c(C=O)c1O)C1C(CCC2=C)C(C)(C)OC(C)(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.933
CB1 binding score: -15.394
InChIKey:PDFQKAOXSPXLOS-UHFFFAOYSA-N
ID: 86475
SMILES:O=C1C(C)=CC2C(CC1O)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.329
InChIKey:ZLYASMKQEURUHW-UHFFFAOYSA-N
ID: 86476
SMILES:C1CC(C)C2(C)C3(C1)c1c(cc(CCCCC)cc1O)OC3CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.89
InChIKey:NPGVJBIOXXMWNU-UHFFFAOYSA-N
ID: 86477
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -18.455
InChIKey:AKZMYJAEOJLEIA-UHFFFAOYSA-N
ID: 86478
SMILES:C(C1=CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O)CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -14.764
InChIKey:QXAFHXQBEVFTTB-UHFFFAOYSA-N