ID: 115648
SMILES:C1(C)(C)C2(O)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.217
InChIKey:XSKMRHYFTOPSFW-UHFFFAOYSA-N
ID: 115649
SMILES:O1c2c(c(O)cc(CCCCCCCCC=C)c2)CC1C(=C)C(CC=C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.697
InChIKey:QDXPZKCDSQBTKD-UHFFFAOYSA-N
ID: 115650
SMILES:C12CC(C(C)C)(O)CCC1(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.968
InChIKey:RAYIRBAMWZOMGG-UHFFFAOYSA-N
ID: 115651
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(O)(C)C2)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.479
InChIKey:JVOLFXJQRQIMOK-UHFFFAOYSA-N
ID: 115652
SMILES:C1=Cc2c(O)cc(CCCCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.792
InChIKey:DYIPCOWOGUNKGZ-UHFFFAOYSA-N
ID: 115653
SMILES:CC(=CCCC(C)=CCc1c(O)ccc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 115654
SMILES:OC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -16.502
InChIKey:SXSTUGFOOOAIGL-UHFFFAOYSA-N
ID: 115655
SMILES:CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -14.65
InChIKey:GMJKQHUGYGGVFN-UHFFFAOYSA-N
ID: 115656
SMILES:c12c(O)cc(O)c(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -17.407
InChIKey:MEBXQXVNQKNBGL-UHFFFAOYSA-N
ID: 115657
SMILES:CC(=O)CCc1cc2c(c(O)c1)C1C(C)(O2)OC2(C)C(C(C)CCC3C(C)(C)C32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -14.198
InChIKey:WGKLGOJGIKTFJX-UHFFFAOYSA-N
ID: 115658
SMILES:c1(O)c(C2CC(C(=C)C)CCC2(C)O)c(O)cc(CCc2cc(O)cc(OC)c2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.123
InChIKey:PSDOXJOHHQFAFL-UHFFFAOYSA-N
ID: 115659
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115660
SMILES:C1(C(=C)C)C(O)CC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.955
InChIKey:UKTDGUHOBZBFHV-UHFFFAOYSA-N
ID: 115661
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CO)(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.771
InChIKey:KCJOVENFDNAPJE-UHFFFAOYSA-N
ID: 115662
SMILES:Oc1cc(C)c(C2C(C(=C)C)CCC(C)=C2)c(CO)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.847
InChIKey:GPEDDALNRMUIOT-UHFFFAOYSA-N
ID: 115663
SMILES:c1(CCC(=O)CC)cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -16.328
InChIKey:USEBIAIPFXZYGT-UHFFFAOYSA-N
ID: 115664
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(C(C=C)(CCC=C(C)C)C)c3C2C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.692
CB1 binding score: -15.679
InChIKey:NKWHGFXCXRYRSF-UHFFFAOYSA-N
ID: 115665
SMILES:C(O)c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.519
InChIKey:JYWMHMBOKFHKMR-UHFFFAOYSA-N
ID: 115666
SMILES:C1(CCC=C(C)C(OC)=O)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.625
InChIKey:CMRDBWFAZXJZNY-UHFFFAOYSA-N
ID: 115667
SMILES:O1c2c(c(O)cc(CCCC)c2)C2C(O)C(C)=CCC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.933
InChIKey:DZZVBFUMJISQMM-UHFFFAOYSA-N
ID: 115668
SMILES:C1(COC(=O)C)C(O)C(O)C(O)C(OC(C)(C)C2Cc3c(O)cc(CCCCC)cc3O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.543
CB1 binding score: -16.033
InChIKey:SQSZFLPGBLKNGT-UHFFFAOYSA-N