ID: 85954
SMILES:C(C(O)c1c(O)c(C2C(C(C)=C)CC(C)(C)C=C2)c(O)c(C2C=C(C)CCC2C(C)=C)c1O)C(CCC)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.824
CB1 binding score: -14.842
InChIKey:INIOSCCBCLPGNX-UHFFFAOYSA-N
ID: 85955
SMILES:C1(C=C)(C)C(C(C)=C)C2c3c(O)cc(CC)cc3OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.085
InChIKey:ADNQLABYXFMBDT-UHFFFAOYSA-N
ID: 85956
SMILES:C123C(C(O)=O)=CC4(C(C(=C)C)CCC4C)CC1C(C)(Oc1cc2cc(CCCCC)c1)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -14.692
InChIKey:JIGRHHAWJAKCAE-UHFFFAOYSA-N
ID: 85957
SMILES:C(=CCCC(=CCc1c(O)cc(CCCCC)c(O)c1O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.433
InChIKey:PQJHNORQVFURSH-UHFFFAOYSA-N
ID: 85958
SMILES:C(Cc1c(C)c2c(cc1C)OC(C)(C)CC2)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 274.448
CB1 binding score: -13.903
InChIKey:QUDZUSUIGFACKV-UHFFFAOYSA-N
ID: 85959
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 85960
SMILES:C12c3c(cc(CCCCC)cc3O)OC(CO)(C)C(C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.438
InChIKey:GNEJCNZXPMTYBN-UHFFFAOYSA-N
ID: 85961
SMILES:c1(CCCCC)cc2c(cc1)OC(C)(C)C1CC=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.682
InChIKey:DCMZCARBHRLIHN-UHFFFAOYSA-N
ID: 85962
SMILES:CC1Oc2cc(CCCCC)cc(O)c2C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -17.121
InChIKey:MCNDLNDHOFQPCE-UHFFFAOYSA-N
ID: 85963
SMILES:C1(C)(C)Oc2c(c(O)cc(C)c2)C2C1CC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.466
InChIKey:OOSGYAFEZCZRRA-UHFFFAOYSA-N
ID: 85964
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(c(OC)cc(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.863
InChIKey:WHDAFDHUJCLHDY-UHFFFAOYSA-N
ID: 85965
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CC=C(CO)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 85966
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1C=C(C)C)OC(C=C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.611
InChIKey:LPKIPPUUHZMJBP-UHFFFAOYSA-N
ID: 85967
SMILES:C1C(=C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C2=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.166
InChIKey:AHHMPROUGMHJAN-UHFFFAOYSA-N
ID: 85968
SMILES:c1(O)cc(CCCC)cc2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:WNSSGUWRFMVTAI-UHFFFAOYSA-N
ID: 85969
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 85970
SMILES:C(C=C(C)C)CC(=CCc1c(OC)cc(CCCCC)c(C(OC)=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -17.92
InChIKey:XAKJNANHSIAGQQ-UHFFFAOYSA-N
ID: 85971
SMILES:c1(CCCCC)cc(O)c2c(c1C13C(C(C)(C)C(O)CC1)C=CC(C)(C)O3)OC(C)(C)C(Br)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 535.563
CB1 binding score: -14.87
InChIKey:XVMHWBQLJVBVRL-UHFFFAOYSA-N
ID: 85972
SMILES:C(C)(CCC=C(CCC(C(C)C)=O)C)=CCc1c(O)cc(CCc2ccccc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -16.039
InChIKey:HIIKDVZXQIUQTK-UHFFFAOYSA-N
ID: 85973
SMILES:C(Cc1cc(O)c(C2C(C(=C)CNC(=O)C)CC(C)=CC2)c(O)c1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.505
CB1 binding score: -15.411
InChIKey:YHURSRYBDUJILP-UHFFFAOYSA-N
ID: 85974
SMILES:C(=CCc1c(O)ccc(CC(OC)CCC2C(C(C)=C)CCC(=C)C2)c1O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.16
InChIKey:GXHCPUPLADEDDP-UHFFFAOYSA-N