ID: 85702
SMILES:C1(=O)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -20.286
InChIKey:AGZINCZHMGNOIG-UHFFFAOYSA-N
ID: 85703
SMILES:CC1=C2C(O)(Oc3ccc(CCCC)cc32)C2C(CO)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.438
InChIKey:LMRWDUPLZIQXAU-UHFFFAOYSA-N
ID: 85704
SMILES:C1CC(C(C)C)C(c2c(O)cc(O)cc2CCCCC)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.593
InChIKey:RHRYIQNXICLAPT-UHFFFAOYSA-N
ID: 85705
SMILES:CC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 85706
SMILES:c1(CCCCC)cc2c(c(OC)c1)C=CC(C)(CCC=C(CCC=C(C)C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.505
InChIKey:HDFDVFHITGCJEG-UHFFFAOYSA-N
ID: 85707
SMILES:c1(C)c(CC=C(C)C)c(C2=C(C(C)C)CCC(C)=C2)c(O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.261
InChIKey:NADOJDBTEYSUGL-UHFFFAOYSA-N
ID: 85708
SMILES:C1(C)(CCCC(C)C)C2c3c(O)cc(CCCCC)cc3OC(O)(C2)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.591
CB1 binding score: -12.366
InChIKey:AOGUYGFNWVLCCI-UHFFFAOYSA-N
ID: 85709
SMILES:CC1(C)C2CC(=O)C(C)CC2c2c(cc(CC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.822
InChIKey:JOACWQHWQIXOKG-UHFFFAOYSA-N
ID: 85710
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 85711
SMILES:C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 85712
SMILES:C1(=O)C2(O)Cc3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.579
InChIKey:CSPJFTXQZXSXKF-UHFFFAOYSA-N
ID: 85713
SMILES:Oc1c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -16.782
InChIKey:ZKKSUUGHFOIVDB-UHFFFAOYSA-N
ID: 85714
SMILES:c1(CCCCC)cc(O)c(CC=C(C)C)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -16.976
InChIKey:KUQFQMZLGYOTDL-UHFFFAOYSA-N
ID: 85715
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1cc(C=CC(O)(CCC=C(C)C)C)c(O)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -13.318
InChIKey:PVPWPDQTSASBKE-UHFFFAOYSA-N
ID: 85716
SMILES:C12=C(C)C(OC(=O)C)CC(C1(C)C)C(OC(=O)C)C=C(COC(=O)C)C=C1c3c(cc(CCCCC)cc3O)OC1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.718
CB1 binding score: -14.753
InChIKey:JCVAZIHOEOMECS-UHFFFAOYSA-N
ID: 85717
SMILES:O1C(O)C2(O)C(=CC1=O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -14.808
InChIKey:NYHHYTZJHTZATJ-UHFFFAOYSA-N
ID: 85718
SMILES:CC1(C)C2C=CC(C)(O)CC2c2c(O)cc(CCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.379
InChIKey:CVDJYCLMBQHDGO-UHFFFAOYSA-N
ID: 85719
SMILES:C1(C)(C)C2=C(C=C(C)C(O)C2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.866
InChIKey:NZLHNXGSLRBQPW-UHFFFAOYSA-N
ID: 85720
SMILES:C(c1c2c(c(O)cc1CCCCC)C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.611
InChIKey:QXUCLIISXIFDCN-UHFFFAOYSA-N
ID: 85721
SMILES:C(C(C)C(=O)c1c(O)c(C=O)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.028
InChIKey:LHWKPKHDVFGQIS-UHFFFAOYSA-N
ID: 85722
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(CCC=C(C)C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N