ID: 112876
SMILES:CC(=C)C1CCC(C)CC1c1c(CCC)cc(O)c(CC=C(C)C)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.091
InChIKey:GJLWSXVLMYSHRZ-UHFFFAOYSA-N
ID: 112877
SMILES:C1(C)(C)Oc2c(c(O)cc(C)c2)C2CCC(C(OC)=O)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.334
InChIKey:FXUSTVJWSBOFQU-UHFFFAOYSA-N
ID: 112878
SMILES:CCCCc1cc(C=O)c2ccc(O)c3c2c1OC(C)(C)C1CCC(C)CC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -15.847
InChIKey:LAKPACTWJKRZPA-UHFFFAOYSA-N
ID: 112879
SMILES:C(C1CC=C(C(O)=O)CC1)(=CCC=C(C(CCC(C)=CCc1c(O)c(C)cc(O)c1)C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -13.583
InChIKey:JEGBNWCFJYNUAO-UHFFFAOYSA-N
ID: 112880
SMILES:O1C(C)C(O)CCC1(C)C1=CC2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.666
InChIKey:ZDZUGTJETXTTLD-UHFFFAOYSA-N
ID: 112881
SMILES:O1C(C)(C)C2Oc3cc(CCc4ccccc4)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -14.239
InChIKey:AMWIYSFABQUWEN-UHFFFAOYSA-N
ID: 112882
SMILES:C1CC(O)(C)C(O)C2C1C(C)(C)Oc1c2ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.019
InChIKey:OUAVHDGMKIDTND-UHFFFAOYSA-N
ID: 112883
SMILES:CC1(C)C(=O)C(c2c(O)cc(O)cc2CCCCC)C(C)C(CCC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.467
InChIKey:IRIFVQORCBYEFK-UHFFFAOYSA-N
ID: 112884
SMILES:Oc1cc(CCCC)cc2c1C1c3c(c(OC)cc(OC)c3C(CC(C(O)C(=C)C)OC(C)=O)C(C)CC1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.681
CB1 binding score: -15.501
InChIKey:DFLAXWDULLHXNT-UHFFFAOYSA-N
ID: 112885
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.63
InChIKey:LAYHJCJKKWVWTP-UHFFFAOYSA-N
ID: 112886
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1C(=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.237
InChIKey:NUXUVWAZOLQHDT-UHFFFAOYSA-N
ID: 112887
SMILES:C(c1c(O)c(CC2=C(O)C(C)(CC=C(C)C)C(C)CC2)c(O)c2c1CCC(C)(C)O2)CCCc1ccc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -15.579
InChIKey:XAOUBMPVRHKCFO-UHFFFAOYSA-N
ID: 112888
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112889
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 112890
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -21.025
InChIKey:CUXNLZIJHQOPIO-UHFFFAOYSA-N
ID: 112891
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C(C)=C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.265
InChIKey:HZBBQDWEXFTDKO-UHFFFAOYSA-N
ID: 112892
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 112893
SMILES:C1(Oc2c3c(ccc2CCCCC)OC(C)(C)C2C3C(C(=O)O)CC2)C(=O)CCCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.982
InChIKey:DIQDFBFEXDSZIK-UHFFFAOYSA-N
ID: 112894
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)C1OC2C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 274.36
CB1 binding score: -16.502
InChIKey:AWSSYJWDSLPESU-UHFFFAOYSA-N
ID: 112895
SMILES:CC(=CCOc1c2c(c(OC)cc1CCCCC)OC(C)(C)C=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.796
InChIKey:BPEYNVCVQMKPMN-UHFFFAOYSA-N
ID: 112896
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N