ID: 31648
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -17.309
InChIKey:ZGZAYDNJXWVSHZ-UHFFFAOYSA-N
ID: 31649
SMILES:C(=C)(C)C1CC=C(C2Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.889
InChIKey:QKSMRIJFNJQKNQ-UHFFFAOYSA-N
ID: 31650
SMILES:c1c(O)c(C2C=C(C)CCC2C(=C)C)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 31651
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 31652
SMILES:C12C(CO)c3c(O)cc(CCCCC)cc3OC1(O)C(=O)C(C)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.411
CB1 binding score: -12.831
InChIKey:ATYSVURMSBKUEU-UHFFFAOYSA-N
ID: 31653
SMILES:C1(C)(C)Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -18.796
InChIKey:BFFUWWHIAIGFJU-UHFFFAOYSA-N
ID: 31654
SMILES:CC(=CCCC1(C)Oc2c3c(O)cc(CCCCC)cc3oc2C=C1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.367
InChIKey:XPDDHLWSRXTIMD-UHFFFAOYSA-N
ID: 31655
SMILES:C1CC2=C(C(C)(C)C(=O)CC2)C(c2c(OC)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.992
InChIKey:LSRSJFDPBBSJOX-UHFFFAOYSA-N
ID: 31656
SMILES:O1C(C)(C)C2C(O)CC(O)(c3c(OC)cc(CCCCC)cc3O2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.087
InChIKey:BKSHVBBMXJFWMN-UHFFFAOYSA-N
ID: 31657
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(O)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.742
InChIKey:JSAVZUCRFPRIMB-UHFFFAOYSA-N
ID: 31658
SMILES:C12(C)Oc3c(c(O)cc(CCC)c3)C(O)(C(=C)CCC=C(C)C)C1=C(C(CC)C)CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -16.366
InChIKey:NUEDPBIWPGXLLK-UHFFFAOYSA-N
ID: 31659
SMILES:O(C)c1c(C(C(=C)CC)=O)c(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: Not available
InChIKey:UTKDFPVBZYOQAZ-UHFFFAOYSA-N
ID: 31660
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C2C(C(C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.91
InChIKey:TYRNGUQDDXEYPL-UHFFFAOYSA-N
ID: 31661
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)c(OC)c2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.914
InChIKey:PNMCGYPHKISUAK-UHFFFAOYSA-N
ID: 31662
SMILES:CCCCCc1cc(O)c(C2C(C)C(C)CCC2C(C)CC(O)C=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.646
CB1 binding score: -14.605
InChIKey:JQBKQZGWEOYXJN-UHFFFAOYSA-N
ID: 31663
SMILES:CC1=CC(c2cc(CCN(C)C)ccc2OC)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 31664
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1C2CC(=C)C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.839
InChIKey:GJFLHPKWGMFGKE-UHFFFAOYSA-N
ID: 31665
SMILES:c12cc(CCCCC)cc(O)c1-c1c(cc3c(c1)OC1(C)CCC4C(C)(C)C4C1C(C)C=C3)C(C(O)(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.749
CB1 binding score: -11.566
InChIKey:DKUHQKXTOPZCIW-UHFFFAOYSA-N
ID: 31666
SMILES:C1(Cc2cc(OC)ccc2O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.331
InChIKey:WLHMXDDPKGLYOH-UHFFFAOYSA-N
ID: 31667
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(CCC(=C)C1)C(=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -12.709
InChIKey:BVIFSKBUEFEGHK-UHFFFAOYSA-N
ID: 31668
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C(O)=O)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N