ID: 43597
SMILES:C(=C(C)CCCC(CCC=C(C)C#N)C)Cc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 341.495
CB1 binding score: -14.25
InChIKey:YHZQDAIZQSLFIQ-UHFFFAOYSA-N
ID: 43598
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43599
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43600
SMILES:Oc1cc(C(CCCCC)O)cc(O)c1C1C(O)C(C)(O)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -16.144
InChIKey:PPLNGFBKYFKPLQ-UHFFFAOYSA-N
ID: 43601
SMILES:CC(=O)C12Oc3c(c(O)cc(CCC)c3)C(C(=C)C=C1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -16.425
InChIKey:PSZFYZUIVRJJCF-UHFFFAOYSA-N
ID: 43602
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 43603
SMILES:c12cc(CCC(=O)O)cc(O)c1C(=O)C1(CC=C(C)C)C3OC(C(C)(C)OO1)C(C3)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -15.629
InChIKey:IDJPRWVSYBDZBV-UHFFFAOYSA-N
ID: 43604
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC3(C)C(=C(O2)C(O)CC1O)OC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -14.618
InChIKey:FDVQMXMDSIUIGY-UHFFFAOYSA-N
ID: 43605
SMILES:C(C=C(C)C)CC(=CCc1c(C(OC)=O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.172
InChIKey:UFQDGIDXQJRPCW-UHFFFAOYSA-N
ID: 43606
SMILES:OC1C(C)=CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.265
InChIKey:CZBXOXBPNBBUNI-UHFFFAOYSA-N
ID: 43607
SMILES:C(OC(C)=O)C12C(Cc3c(O)cc(CCC(=O)OC)cc3O1)OCC2=CCCC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -15.929
InChIKey:QKDLZDWSBAVDHT-UHFFFAOYSA-N
ID: 43608
SMILES:C(=O)OCC1OC(Oc2c3c(cc(CCCCC)c2)OC(C)(C)C(OC(=O)C)C3)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.553
CB1 binding score: -14.376
InChIKey:AFYBZBCBWKTNBS-UHFFFAOYSA-N
ID: 43609
SMILES:CC(C)=CCC(C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.446
InChIKey:OUOQXFQTVUXZJA-UHFFFAOYSA-N
ID: 43610
SMILES:C1(O)C(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 43611
SMILES:CC1(C)CCCC2(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.528
InChIKey:RUNFDTKOHGWARR-UHFFFAOYSA-N
ID: 43612
SMILES:C(C(C(C1=C(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C2CCC(C)=CC2)C1=O)CCCC)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.797
CB1 binding score: -16.095
InChIKey:SQNALAVINIKQJF-UHFFFAOYSA-N
ID: 43613
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.464
InChIKey:GCKMTONETSXIJS-UHFFFAOYSA-N
ID: 43614
SMILES:O1C(C=CC(O)(C)C)=C2OC1c1c(cc(CCCCC)cc1O)OC2(CCC=C(C)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -16.438
InChIKey:XGUYESZJCXGSCB-UHFFFAOYSA-N
ID: 43615
SMILES:c1(O)c2c(cc(C(C(CC)O)C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.561
InChIKey:VKTSZUVYOFTMTI-UHFFFAOYSA-N
ID: 43616
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.849
InChIKey:DVBOPGHYBHNYOH-UHFFFAOYSA-N
ID: 43617
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC(CO)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.73
InChIKey:OQRLEOCYKNNDTR-UHFFFAOYSA-N