ID: 89944
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1c2cc(C)cc1CCC=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -9.708
InChIKey:ZQUNLNXRMMTBAH-UHFFFAOYSA-N
ID: 89945
SMILES:CC(C)CC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C(=CC(CC(C)C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -13.594
InChIKey:HWOKWBYUWJZWHB-UHFFFAOYSA-N
ID: 89946
SMILES:C(CC=C(C)C)C1(C)Oc2c(cc(OC)cc2CCCCCC)CC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.557
InChIKey:LTDQRIFIZUBDTL-UHFFFAOYSA-N
ID: 89947
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)(CCC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -15.263
InChIKey:LOEHCLVOMKIKOQ-UHFFFAOYSA-N
ID: 89948
SMILES:Oc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:YVWZJXRXPSVZJS-UHFFFAOYSA-N
ID: 89949
SMILES:CC1(C)C=C2C(C(=C)Oc3c(c(O)cc(CCCCC)c3)C2O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.67
InChIKey:VGYYZGAXEDXTCZ-UHFFFAOYSA-N
ID: 89950
SMILES:C1(C)=CC(c2c(CCCCC)cc(O)cc2O)C(C(C)(O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.759
InChIKey:PTDORUNBCCUSJO-UHFFFAOYSA-N
ID: 89951
SMILES:C1=C(c2ccc(C)cc2)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.475
CB1 binding score: -15.066
InChIKey:FJPJQAMUFSUEEG-UHFFFAOYSA-N
ID: 89952
SMILES:C(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.166
InChIKey:PRVSGPWRCZJMAN-UHFFFAOYSA-N
ID: 89953
SMILES:C(CC(C)=CCc1c(OC(=O)C)cc(CCCCC)cc1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -17.817
InChIKey:DOBIHFILNCXYQS-UHFFFAOYSA-N
ID: 89954
SMILES:CC1C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.751
InChIKey:YSHSGJSPAYHNRH-UHFFFAOYSA-N
ID: 89955
SMILES:C1(C)(C)Oc2cc(CCC)cc(O)c2C2C=C(COC(=O)C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.334
InChIKey:CHKVNLMXPHANJK-UHFFFAOYSA-N
ID: 89956
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 89957
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.608
InChIKey:VEDAVHKTDOSRAU-UHFFFAOYSA-N
ID: 89958
SMILES:CC1(C)Oc2c(c(O)cc(CCc3ccccc3)c2)C2C3OC(=O)C(=C)C3CCC(C)=C21
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 430.544
CB1 binding score: -12.331
InChIKey:QNEAJQUZBQQVJW-UHFFFAOYSA-N
ID: 89959
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2cc(C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 270.416
CB1 binding score: -17.979
InChIKey:ZLPGXSHLPLOFQK-UHFFFAOYSA-N
ID: 89960
SMILES:C1C(OC(=O)c2cc3c(cc2C(OC)=O)cc(CCCCC)cc3OC)OC(C)(C)C2CCC(C)=C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -14.376
InChIKey:LYEQNGWGPXAXDZ-UHFFFAOYSA-N
ID: 89961
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C(CO)(C)C3C2=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -17.204
InChIKey:BBPZWISNBKXYBB-UHFFFAOYSA-N
ID: 89962
SMILES:CC(=CCc1c(CC=C(C)C)cc(C2C=C(C)CCC2C(C)C)c(O)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.616
CB1 binding score: -15.562
InChIKey:HMKUGXFGWMYBDK-UHFFFAOYSA-N
ID: 89963
SMILES:C(c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -19.034
InChIKey:SKFPSWUXWVYQEV-UHFFFAOYSA-N
ID: 89964
SMILES:C(CCCC)c1cc2c(cc1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N