ID: 44878
SMILES:C(CCCC)c1cc(O)c2c(c1O)OC(C1CCC(C)(C)O1)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -11.814
InChIKey:HHMIQANINMBTBL-UHFFFAOYSA-N
ID: 44879
SMILES:c1(C(=O)OC2OC(=O)C(C)=C2)c(O)c(C=O)c2c(c1CCCCC)OC(C)(C)C1C2C=C(COC(=O)CCCCCCC)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 640.77
CB1 binding score: -14.187
InChIKey:DMNBKJFYYKXZQN-UHFFFAOYSA-N
ID: 44880
SMILES:c12c(c(O)c(C(CC(C)C)=O)c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.439
InChIKey:MMBSMBBFKYDYEQ-UHFFFAOYSA-N
ID: 44881
SMILES:C(CCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(O)(C)C1)=CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.109
InChIKey:KVGKGAIEVIBEEU-UHFFFAOYSA-N
ID: 44882
SMILES:c1(CCCCC)c(C(=O)O)c(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 44883
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.439
InChIKey:XVOPFYNMQOZUKH-UHFFFAOYSA-N
ID: 44884
SMILES:C(Cc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21)CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.195
InChIKey:YFCVYFQMKFGUOV-UHFFFAOYSA-N
ID: 44885
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.604
InChIKey:AUPXTHSHVYGTBU-UHFFFAOYSA-N
ID: 44886
SMILES:CN(C)c1cc(C2C(C(=C)C)CCC(C)=C2)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -15.143
InChIKey:ZJDAOBGWYFIUOJ-UHFFFAOYSA-N
ID: 44887
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(=C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.78
InChIKey:NROBKQHQUVSAAS-UHFFFAOYSA-N
ID: 44888
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 44889
SMILES:c1(CC=C(C)C)c(CCCCC)c(OC)c2c(c1O)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.603
InChIKey:YLGZUTOBNFJSRB-UHFFFAOYSA-N
ID: 44890
SMILES:C(C(C=C(C)CCCC)C(=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.221
InChIKey:DWOKGZKQZARONQ-UHFFFAOYSA-N
ID: 44891
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 44892
SMILES:C1CC(C)(C)c2c(c(C)ccc2)C1Oc1cc(CCCCC)cc(O)c1C(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.912
InChIKey:ZDJIMXLZSVTMRH-UHFFFAOYSA-N
ID: 44893
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(CCCCCCC)c(OC)c(c3O)C1=O)CC1C(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -16.363
InChIKey:BNQBMKSPYORQHM-UHFFFAOYSA-N
ID: 44894
SMILES:C1(C)=CCC=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)C(CC)C)c(O)c3)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.739
InChIKey:NKRRRWANOMCIMN-UHFFFAOYSA-N
ID: 44895
SMILES:C12C3CC(O)C1(CO)Oc1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1C2cc3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -11.327
InChIKey:NLWSWZKFFVWQEW-UHFFFAOYSA-N
ID: 44896
SMILES:CC(CCC=C(C)COC(C)=O)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.279
InChIKey:LNQSLEXMPPKJCO-UHFFFAOYSA-N
ID: 44897
SMILES:CC(C)=C1C(c2c(O)c(C(O)=O)c(CCCCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -17.162
InChIKey:GACRGHFCMOAGPX-UHFFFAOYSA-N
ID: 44898
SMILES:CC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(COC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 486.649
CB1 binding score: -14.56
InChIKey:PLMNLWGYIJHNGQ-UHFFFAOYSA-N