ID: 19867
SMILES:c1c2c(c(CCCC)cc1O)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.929
InChIKey:DQMVLWIRQOPHJJ-UHFFFAOYSA-N
ID: 19868
SMILES:c1(O)c2c(c(Cl)c(O)c1CC(O)C(C)=C)OC(C)(C)C1CC(=O)C(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.879
CB1 binding score: -13.22
InChIKey:VWZJHZVOUKUMSF-UHFFFAOYSA-N
ID: 19869
SMILES:C=C(C1CCC(CO)=CC1c1c(O)cc(CC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.998
InChIKey:VJIKSEJDAJZWOW-UHFFFAOYSA-N
ID: 19870
SMILES:C(C=C(CCC=C(C)C)C)CC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 19871
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC(CC)O)cc2)C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.715
InChIKey:XHRBCZFKMKDTHG-UHFFFAOYSA-N
ID: 19872
SMILES:Oc1cc(OC)c2c(c1CCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.333
InChIKey:FZZYINKEOBRTHH-UHFFFAOYSA-N
ID: 19873
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)(O)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.54
InChIKey:DYZWBHITCUBURA-UHFFFAOYSA-N
ID: 19874
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.108
InChIKey:LUSZRTIECNDIIR-UHFFFAOYSA-N
ID: 19875
SMILES:C1(C)=CCC2=C(C1)C(C)(C)Oc1c2c(O)cc(CCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.995
InChIKey:IYDBXUQKSYMRBK-UHFFFAOYSA-N
ID: 19876
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 19877
SMILES:CC1C2C(c3c(O)cc(CCCCC)cc3O1)OC(C=C(CCC=C(C)C)C)CC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.792
InChIKey:IQYQPONWULSSMX-UHFFFAOYSA-N
ID: 19878
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 19879
SMILES:CC(OC1C(C)C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.416
InChIKey:ZWWDCSBORJAYEG-UHFFFAOYSA-N
ID: 19880
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -15.319
InChIKey:GFCMBBHDBBVFED-UHFFFAOYSA-N
ID: 19881
SMILES:CCCc1cc(O)c(C2C(=C(C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.912
InChIKey:ZBRFWGXKUTWIBC-UHFFFAOYSA-N
ID: 19882
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2O)C2CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.185
InChIKey:RFVLICLVHPJBTM-UHFFFAOYSA-N
ID: 19883
SMILES:Oc1c(C2(C)CCC3C2(C)C3)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.574
InChIKey:KUMQLMOWBSCEHT-UHFFFAOYSA-N
ID: 19884
SMILES:C(CCCCCCC)CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -17.696
InChIKey:PJMICWGXKSAMHL-UHFFFAOYSA-N
ID: 19885
SMILES:Oc1c(C(=O)C(CC(C)C)=O)c(O)c2c(c1CC=C(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.925
InChIKey:ZUFDBHGNKJELBZ-UHFFFAOYSA-N
ID: 19886
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C=O)C=C2C)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 342.479
CB1 binding score: -16.225
InChIKey:OLJQHXRKTXXKLE-UHFFFAOYSA-N
ID: 19887
SMILES:Oc1c(OC)c(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O)C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.015
InChIKey:HBPQBFROKJJQNN-UHFFFAOYSA-N