ID: 5755
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 5756
SMILES:Oc1c(C=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.321
InChIKey:CMBFQSLUVVLKBC-UHFFFAOYSA-N
ID: 5757
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 5758
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCC)c3)C3C2C#CCC=C(C)C(=O)CC13
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -14.707
InChIKey:WSJTVJOXVIUJQS-UHFFFAOYSA-N
ID: 5759
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(CC(C)(O)CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.401
InChIKey:CGQBLYHZAPDHIZ-UHFFFAOYSA-N
ID: 5760
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(C=C1C)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.748
InChIKey:MNPRHMANVMXSFI-UHFFFAOYSA-N
ID: 5761
SMILES:CCCCCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.153
InChIKey:FHFWMWLGGRCLAF-UHFFFAOYSA-N
ID: 5762
SMILES:CC1C2=C(C(=O)OC2C)C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.122
InChIKey:LROLWXKKBAXVHO-UHFFFAOYSA-N
ID: 5763
SMILES:C1C(C)=CCC(C(C)C)C1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.849
InChIKey:KZYRMUVTCSZOAK-UHFFFAOYSA-N
ID: 5764
SMILES:c1(-c2c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c2)ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.583
CB1 binding score: -18.375
InChIKey:IYXNPLBMBOYWQQ-UHFFFAOYSA-N
ID: 5765
SMILES:C=C(C)C1CCC(C)=CC1c1c(OC)ccc(CCN(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 5766
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 5767
SMILES:c1c(CCCCCC)cc(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.498
CB1 binding score: -15.19
InChIKey:KTKIOGVCAUPOBF-UHFFFAOYSA-N
ID: 5768
SMILES:C1(C(C)(C)C)CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.424
InChIKey:HGAJTMTVSMIMND-UHFFFAOYSA-N
ID: 5769
SMILES:C(C)(C)(Oc1c(O)c2c(c(CC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -12.644
InChIKey:CYBJIJBJNISJGX-UHFFFAOYSA-N
ID: 5770
SMILES:C1(CCC(C)C=C2C=C(C)C(=O)c3c(C(O)=O)cccc23)C(C)(C)Oc2c1c(O)cc(C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.543
CB1 binding score: -13.311
InChIKey:PQYVHPNPEMRBKG-UHFFFAOYSA-N
ID: 5771
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)CC(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.912
InChIKey:IQUAZCDXDSBSST-UHFFFAOYSA-N
ID: 5772
SMILES:C1C(C(C)(C)CO)C(c2c(O)c(C(=O)C(C)CC)c(O)c(CC=C(C)CCC=C(C)C)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -16.513
InChIKey:JORWSEQSFNYEKO-UHFFFAOYSA-N
ID: 5773
SMILES:c1c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 5774
SMILES:C(OC1C(C)=CC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.655
InChIKey:FLZRTUNLVBLEKZ-UHFFFAOYSA-N
ID: 5775
SMILES:C(CCC(=O)OC1CC(C(=C)C)CC=C1C)c1cc(OC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.591
InChIKey:WYOCJUCMJBXALN-UHFFFAOYSA-N