ID: 38788
SMILES:Oc1c(-c2ccc(CCCCC)cc2)c(O)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -16.621
InChIKey:PRCYUFAXYYXKHX-UHFFFAOYSA-N
ID: 38789
SMILES:C(c1c(O)c2c3c(c1)OC(C)(C)C1C3C1(C)CCC2=O)CCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.998
InChIKey:NVCHKXRGRTVAHK-UHFFFAOYSA-N
ID: 38790
SMILES:CC1(C)C2=C(O)C(C)C(CC3c4c(cc(C(O)=O)c(C)c4)OC(C)(C)C3C2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.1
InChIKey:TYMRXORZKNRSPG-UHFFFAOYSA-N
ID: 38791
SMILES:C(CC)Cc1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.434
InChIKey:HCCJTHXAZDTEFZ-UHFFFAOYSA-N
ID: 38792
SMILES:C(C(=O)OC1C2C(c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC=C(C)C)C(=O)C(C)=C1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -15.929
InChIKey:GSDBXQBSYOJXOM-UHFFFAOYSA-N
ID: 38793
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(CCC1=C)CCC(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.669
CB1 binding score: -14.761
InChIKey:VVNYTZMCIHYRNF-UHFFFAOYSA-N
ID: 38794
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 38795
SMILES:C(C(=O)OC1C(C)=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2C1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.507
InChIKey:VCHWPJUGSJLXQO-UHFFFAOYSA-N
ID: 38796
SMILES:Oc1c2c(cc(CCCCC)c1)C1=C(C(C)(C)O2)CCC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.185
InChIKey:FLFHHOWQIJDUTJ-UHFFFAOYSA-N
ID: 38797
SMILES:C1(O)C(CCCCC)=CC2C(CCC(C)=CC1)C(C)(C)Oc1c2ccc(=O)o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.838
InChIKey:HUIIYDLPJTYOKE-UHFFFAOYSA-N
ID: 38798
SMILES:C1(C)CC2C(CC1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.511
InChIKey:FJNYRBFCDFVKTA-UHFFFAOYSA-N
ID: 38799
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C3C(C)(CCC1C(C)(C)O2)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.791
InChIKey:VSQGBNUBIDZRPJ-UHFFFAOYSA-N
ID: 38800
SMILES:C1=C(C)C(OC(=O)C)CC2C(C)(C)Oc3c(c(O)c(O)cc3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.106
InChIKey:DTUFXXATNINBAL-UHFFFAOYSA-N
ID: 38801
SMILES:C12C(C(C)C)C(c3c(O)cc(CCCCC)cc3O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.05
InChIKey:JYZVTLVUJVCYRI-UHFFFAOYSA-N
ID: 38802
SMILES:C(C)(=CCCC(=CCc1c(O)ccc(CCCCCC)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.43
InChIKey:DOKRBMNNIIGHQA-UHFFFAOYSA-N
ID: 38803
SMILES:C1CC2C(C)(C)CC2C2(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.709
InChIKey:ZIBIFJHJDVTQDH-UHFFFAOYSA-N
ID: 38804
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CCC(COC(=O)C)=C2)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.022
InChIKey:DEKPVDMUOXCQCR-UHFFFAOYSA-N
ID: 38805
SMILES:c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 38806
SMILES:c1(CCCCC)c(O)c2c(c(O)c1)C1C3C(=O)CCOC1(O2)CCC(C)=C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.359
InChIKey:BUXCSXQSVXUBDX-UHFFFAOYSA-N
ID: 38807
SMILES:C(Cc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12)=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.941
InChIKey:TUZUFVXJKVYHRF-UHFFFAOYSA-N
ID: 38808
SMILES:C1(=O)C2(C)C3C(C(C)(C)Oc4cc(C)c(OC)cc43)C1CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.801
InChIKey:FOALQVSBASSAGD-UHFFFAOYSA-N