ID: 1870
SMILES:CC1(C)Oc2c(c(O)cc(C(CC(C)C)=O)c2O)C2CC(C(=O)O)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -11.97
InChIKey:XTPLXSBADSKPPT-UHFFFAOYSA-N
ID: 1871
SMILES:CC(=O)OC1C(O)C(Oc2c(CC=C(CCCC(C)(C)O)C)c(O)cc(CCCCC)c2)OC(CO)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.678
CB1 binding score: -14.392
InChIKey:VNROPGADGOCEKI-UHFFFAOYSA-N
ID: 1872
SMILES:C(C1CC(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1)(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -15.929
InChIKey:BMAUGOBSHYJKNU-UHFFFAOYSA-N
ID: 1873
SMILES:C1(C)=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: 1874
SMILES:C(CCCCC(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.648
CB1 binding score: -14.529
InChIKey:FLZOCXUDYFKHHM-UHFFFAOYSA-N
ID: 1875
SMILES:C(CCCc1cc2c(c(O)c1)C1C2C(CO)=CCC1C(C)=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.902
InChIKey:YNAKLUIJKLYMKM-UHFFFAOYSA-N
ID: 1876
SMILES:CC(C)=CCCC(C)CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 318.501
CB1 binding score: -16.78
InChIKey:MWOUUOZKDQWGIE-UHFFFAOYSA-N
ID: 1877
SMILES:CC1(C)Oc2ccc(O)cc2C2C=C(C)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 1878
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 1879
SMILES:Oc1cc(CCCCC)c(O)c2c1C(C)CC(C=C(CCC=C(C)C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.558
InChIKey:VVVHZVPDFPDWAJ-UHFFFAOYSA-N
ID: 1880
SMILES:c1(C2(C)CCC3C2(C)C3)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.574
InChIKey:KUMQLMOWBSCEHT-UHFFFAOYSA-N
ID: 1881
SMILES:CCCCCc1cc2c(c(O)c1)C=CC1CC(C)(C)OC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.409
InChIKey:INVPUGCLHFSMTG-UHFFFAOYSA-N
ID: 1882
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 1883
SMILES:CC(CC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.491
InChIKey:KNTKBFCTFFCIEZ-UHFFFAOYSA-N
ID: 1884
SMILES:O(c1c(C(=O)CC(C)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.034
InChIKey:NUALFLLKKOPILK-UHFFFAOYSA-N
ID: 1885
SMILES:C1(O)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(OC3CC(C)=CC(C)(C)C3)c2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.56
InChIKey:ISPOFUKZRFDTHQ-UHFFFAOYSA-N
ID: 1886
SMILES:C(=CCc1c(O)cc(CCCCC)c(O)c1O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.433
InChIKey:PQJHNORQVFURSH-UHFFFAOYSA-N
ID: 1887
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.713
InChIKey:GDACQYDZSRKHOS-UHFFFAOYSA-N
ID: 1888
SMILES:c1(CCC(O)(C)C)c(C(=O)O)c2c(c(O)c1)C1C(CC=C(C)C1CC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -17.845
InChIKey:OCBWMIRJDONWOC-UHFFFAOYSA-N
ID: 1889
SMILES:O=C(C)OC1Cc2c(c(OC(=O)C)c(CC=C(CCC=C(C)C)C)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -11.787
InChIKey:GRMFUIXGRHLWHN-UHFFFAOYSA-N
ID: 1890
SMILES:C1(C)=CC2C(CC1O)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