ID: 60649
SMILES:c1c(O)c2c(cc1CC=C)OC(c1c(CCCC(O)(C)C)c(C)ccc1)(C1CC=C(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -16.03
InChIKey:RZUBOOGXLXEMDO-UHFFFAOYSA-N
ID: 60650
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C=C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 60651
SMILES:C1(C)(C=C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.553
InChIKey:KBOCRGMTKXITNY-UHFFFAOYSA-N
ID: 60652
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 60653
SMILES:O(C(=O)c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.783
InChIKey:ZTRNDLFRVJBYME-UHFFFAOYSA-N
ID: 60654
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)c(C(OC)=O)c(CCCCC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.721
InChIKey:GSKFGOCWICCZJN-UHFFFAOYSA-N
ID: 60655
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -17.863
InChIKey:RDCIRECFLGUNGE-UHFFFAOYSA-N
ID: 60656
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C1(C)CCC=C(C)C)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.034
InChIKey:CFAXYSRBVMLLGG-UHFFFAOYSA-N
ID: 60657
SMILES:OC(=O)C1(C)C2C(c3c(O)cc(CCCCC)cc3O2)C(O)=C2C(=O)CC(C(CO)C)C21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -14.317
InChIKey:NVRLHFKWNRWEDK-UHFFFAOYSA-N
ID: 60658
SMILES:C(C(C)=CCc1c(O)c(C(=O)CCC)c(CCCCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.969
InChIKey:ALHTVJYQRULUNP-UHFFFAOYSA-N
ID: 60659
SMILES:C(=CCCCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.631
InChIKey:RJOULBGJXZPNHT-UHFFFAOYSA-N
ID: 60660
SMILES:Brc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -17.342
InChIKey:NXKAKZZDJLSBSI-UHFFFAOYSA-N
ID: 60661
SMILES:Cc1c(=O)c(C)c(C(CC)C)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -10.968
InChIKey:HWJVBRUGWKANOL-UHFFFAOYSA-N
ID: 60662
SMILES:C(C(=O)OCC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.682
InChIKey:LBMFNPIQEPVTBI-UHFFFAOYSA-N
ID: 60663
SMILES:O(C)C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.556
InChIKey:QIVZOAZCXUQIAD-UHFFFAOYSA-N
ID: 60664
SMILES:C(=C(C)CCC=C(C)C#CC=C(C)C)Cc1c(O)cc(O)cc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -13.822
InChIKey:ZZIABVUYDLNPKF-UHFFFAOYSA-N
ID: 60665
SMILES:c1(OC)ccc2c(c1OC)-c1c(c(C)c3c(c1)OC(C)(C)C1C3C=C(C)CC1)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.55
CB1 binding score: -11.609
InChIKey:AZHJWOOFDKSMAJ-UHFFFAOYSA-N
ID: 60666
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1c-2c(OC)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -16.751
InChIKey:QCDUKVGBYIBTSJ-UHFFFAOYSA-N
ID: 60667
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60668
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC(C)(O)CCC1C(O)(C)C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: Not available
InChIKey:TTWUNPJFLWKSQB-UHFFFAOYSA-N
ID: 60669
SMILES:C(C(C)C(=O)OCc1cc(O)c2c(c1)C=CC(C)(CCC=C(C)C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.29
InChIKey:AGVNLTLLLMEZES-UHFFFAOYSA-N