ID: 57646
SMILES:C12C(C)(C)CCC(=O)C1=Cc1c(c(O)cc(CCCCC)c1)C(O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -2.37
InChIKey:OPRDUBZNKLRCLK-UHFFFAOYSA-N
ID: 57647
SMILES:Oc1c2c(cc(CCCCC)c1C(=O)C)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.831
InChIKey:NSAYPKBWNNECRY-UHFFFAOYSA-N
ID: 57648
SMILES:C(CCO)(c1c(O)cc2c(c1OC)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.034
InChIKey:PZOJFOOWLKTQAE-UHFFFAOYSA-N
ID: 57649
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1C(O)CC(O)(COC)C1CCC(C)=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -12.537
InChIKey:FIKAONRVLRWCSC-UHFFFAOYSA-N
ID: 57650
SMILES:c1(O)c(O)c(CCC)cc2c1C1C(C(C)(C)O2)CC(O)(C2C(O)CC(C)(C)O2)C1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.692
CB1 binding score: -12.268
InChIKey:NAKFBQUMVXTDFG-UHFFFAOYSA-N
ID: 57651
SMILES:C(CCCCc1cc2c(c(O)c1)C1C3OC4(C)OC(C1C)CC(C)=C4C2OC3=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -16.293
InChIKey:PBSFSIPRGWNXGH-UHFFFAOYSA-N
ID: 57652
SMILES:C1C2C(C)(C)Oc3c(c(OC)cc(CCCCCO)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.591
InChIKey:LXMNRNJFPXUOJU-UHFFFAOYSA-N
ID: 57653
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)c1c(O)c(C)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -16.808
InChIKey:JGYDXUOJMUSMKP-UHFFFAOYSA-N
ID: 57654
SMILES:CC(CC(O)C(C)(C)O)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.472
CB1 binding score: -16.838
InChIKey:LQODRCFUQZTQKI-UHFFFAOYSA-N
ID: 57655
SMILES:C1CC2(C)Oc3c(c(O)cc(CC)c3)C3OC(C)(C)C(CCC1C)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.929
InChIKey:AUIIPCLIMJWXLO-UHFFFAOYSA-N
ID: 57656
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 57657
SMILES:C(=Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.669
InChIKey:GQOLGRCAYUBXIB-UHFFFAOYSA-N
ID: 57658
SMILES:Oc1c(C(=O)C(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17
InChIKey:WQYRNJBNQPTOAV-UHFFFAOYSA-N
ID: 57659
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(C)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 57660
SMILES:C(=C)(C1CCC(C)=CCc2c(OC)cc(CCCCC)cc2O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.287
InChIKey:LSOWNEDDZSWZGO-UHFFFAOYSA-N
ID: 57661
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccc(O)cc4)cc(O)c32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -16.83
InChIKey:PBEGVXRRRZSVOL-UHFFFAOYSA-N
ID: 57662
SMILES:C1=CC2(C=O)Cc3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.174
InChIKey:MIQRXJSEHZCKDS-UHFFFAOYSA-N
ID: 57663
SMILES:C12C(C)=CC(C(C(C)C)C1)Oc1cc(CCCCC)cc(OC3OC(CO)C(O)C(O)C3O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -14.668
InChIKey:UXTYXPGPEUGCMD-UHFFFAOYSA-N
ID: 57664
SMILES:C12C(=O)Oc3c(C(O)=O)c(CCCCC)cc(O)c3C1CC(C)=CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 400.515
CB1 binding score: -16.958
InChIKey:RTJMTIPAEHWKPT-UHFFFAOYSA-N
ID: 57665
SMILES:c1c(-c2ccc(OC)cc2)c(O)cc2c1OC(C)(C)C1C2CC(C)=CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -14.594
InChIKey:IVJAMRJLHKSUQO-UHFFFAOYSA-N
ID: 57666
SMILES:C(C)(C)=CCCC(C)=CCc1c(O)c(CCC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.708
InChIKey:RPJFNDMWNLYLOA-UHFFFAOYSA-N