ID: 66760
SMILES:CC1(C)CC2C1CCC1(C)Oc3c(O)cc(CCCCCO)cc3C(=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.032
InChIKey:QUAHIJYBWNKKNF-UHFFFAOYSA-N
ID: 66761
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C(C)(O)CCC3C(C)(C)CC3C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.08
InChIKey:KOOGDFOFVUQIAL-UHFFFAOYSA-N
ID: 66762
SMILES:c1(=O)cc(C)c2c3c(c1)OC(C)(C)C1C3C=C(C)CC1C(C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 338.491
CB1 binding score: -16.004
InChIKey:ZDEGSXCDDXFKSR-UHFFFAOYSA-N
ID: 66763
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 66764
SMILES:C1(COC(=O)C)CC2c3c(O)cc(CCCCC)cc3OC(C1O)C2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -13.099
InChIKey:PPCVCRZUSDGRPM-UHFFFAOYSA-N
ID: 66765
SMILES:O(c1c2c(cc(CCCCC)c1O)OC(CCC1=C(C)CCC(O)C1(C)C)(C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -14.188
InChIKey:GBSDLHOPAFRNDO-UHFFFAOYSA-N
ID: 66766
SMILES:C(C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.774
InChIKey:OAXUHIYWRRFWIX-UHFFFAOYSA-N
ID: 66767
SMILES:CC(O)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 66768
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)c(C(OC)=O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.656
InChIKey:RMVSYXDQHUTNPJ-UHFFFAOYSA-N
ID: 66769
SMILES:O1C2(c3c(O)cc(CCCCC)cc3OC1(C)C)C=C(C)CCC1C(C)(CC(O)C3C1(C)CCC3C(C)(O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.784
CB1 binding score: -14.977
InChIKey:GXRGAGQFABMNQR-UHFFFAOYSA-N
ID: 66770
SMILES:O=C1C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(=O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -17.144
InChIKey:SBTZBSSVWDAEIW-UHFFFAOYSA-N
ID: 66771
SMILES:C1(C)=CCC2C(C1)Cc1c(O)cc(CCCCC)c(C(=O)OCC)c1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.464
InChIKey:MQGMXSISYNCDHN-UHFFFAOYSA-N
ID: 66772
SMILES:C1(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C(C(C)C)CCC(CCCC(C)C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.644
CB1 binding score: -16.257
InChIKey:NBAVRNCVZBJHBX-UHFFFAOYSA-N
ID: 66773
SMILES:C(CCC)CC(O)C=CC1C2C(C)(CCC1(C(C)C)O)Oc1c(c(O)cc(CCC(OC)=O)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -17.092
InChIKey:UWTPJKCLYSFOIC-UHFFFAOYSA-N
ID: 66774
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1CCC(C=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.943
InChIKey:MOZUZCNHZSZOEO-UHFFFAOYSA-N
ID: 66775
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(OCC)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.216
InChIKey:QYXJZEIDDZBGBZ-UHFFFAOYSA-N
ID: 66776
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 66777
SMILES:C1CC2(c3c(cc(CCC)cc3O)OC2(C)C)OC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.568
InChIKey:BQSSTXSJGRUCPY-UHFFFAOYSA-N
ID: 66778
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 66779
SMILES:CC1(C)Cc2c(cc(CCCCC)cc2O)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -16.135
InChIKey:SJRMQGGWKWVUAQ-UHFFFAOYSA-N
ID: 66780
SMILES:C1(C)(C(O)CC(C(O)(C)C)O)C=Cc2c(cc(O)cc2CCCCC)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.539
InChIKey:BWZUAWYZESEBMN-UHFFFAOYSA-N