ID: 96601
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OO)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -12.108
InChIKey:XKRBMJWTPHKYBZ-UHFFFAOYSA-N
ID: 96602
SMILES:Oc1cc(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 96603
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 96604
SMILES:C(C)(O)(C)C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.395
InChIKey:NFODGQTUCIKZCA-UHFFFAOYSA-N
ID: 96605
SMILES:C=C(C)C1CCC(C)(O)C2Oc3c(c(C(OC)C(CC)C)c(OC)cc3)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.728
InChIKey:AUTYHDFWTGVCCF-UHFFFAOYSA-N
ID: 96606
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(OC(C=C(C)C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.697
InChIKey:UQMOLQDSJDRVSD-UHFFFAOYSA-N
ID: 96607
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C(=O)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.427
InChIKey:UICJWNGMMYLYIP-UHFFFAOYSA-N
ID: 96608
SMILES:C12C(c3c(cc(CCCC)cc3O)OC1(C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.177
InChIKey:AEOKTSRLUCDOSQ-UHFFFAOYSA-N
ID: 96609
SMILES:c1(O)c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 96610
SMILES:c1(O)cc2c(cc1CC(O)=O)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.353
CB1 binding score: -15.866
InChIKey:YKDJGTOOACXJCC-UHFFFAOYSA-N
ID: 96611
SMILES:OC12CC(C)=CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.751
InChIKey:UOSWLQIIJRKKSU-UHFFFAOYSA-N
ID: 96612
SMILES:C12C(C3(C)C(C(=O)OC1C)O3)C(C)(C)Oc1c2c(OC)cc(CC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.792
InChIKey:XIJZKSDOUYGXOO-UHFFFAOYSA-N
ID: 96613
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCC)c3O)C2CC1(C)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.134
InChIKey:QGJUIRNYQZLSSQ-UHFFFAOYSA-N
ID: 96614
SMILES:C(C)Cc1cc(O)c2c(c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.802
InChIKey:ZCTGEGHKXZAITA-UHFFFAOYSA-N
ID: 96615
SMILES:O=C(C)Oc1cc(CCCCC)ccc1C1C=C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.851
InChIKey:ZKFCNFCOAMYOEA-UHFFFAOYSA-N
ID: 96616
SMILES:C(C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 96617
SMILES:O1C(C(C)(C)O)CCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -13.819
InChIKey:PNFONFJIFJXWIB-UHFFFAOYSA-N
ID: 96618
SMILES:O(CCC(C)CCC)c1cc(O)c(C=O)c2c1OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.717
InChIKey:RNPWCRJSJDGSIQ-UHFFFAOYSA-N
ID: 96619
SMILES:C(CCCCc1cc(OC)c2c(c1)OC(C)(C)C1=C2C(C)CC1)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -14.246
InChIKey:XFKXGMFCWDAOJL-UHFFFAOYSA-N
ID: 96620
SMILES:CC(C1CC2C(C)(CC1)C(c1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)O2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.937
InChIKey:VAXYTOPAZYOSPR-UHFFFAOYSA-N
ID: 96621
SMILES:CC(=CCc1c(C(=O)O)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.433
InChIKey:ZCEVQXUNPCMLNI-UHFFFAOYSA-N