ID: 43513
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -15.034
InChIKey:NWGCFDFDYHIUTK-UHFFFAOYSA-N
ID: 43514
SMILES:CC1=CCC2C(O)(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.524
InChIKey:WEFQIDDHUCKSMR-UHFFFAOYSA-N
ID: 43515
SMILES:C(C12C(CCC(C)=C1)c1c(O)cc(C)cc1O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -15.519
InChIKey:VSYSCIQTEAXNCV-UHFFFAOYSA-N
ID: 43516
SMILES:C(O)C1=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.153
InChIKey:FHFWMWLGGRCLAF-UHFFFAOYSA-N
ID: 43517
SMILES:c1(C)c(-c2c(C)cc3c(c2O)C(C)(C)C(=O)C(C=C(C)C)O3)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.678
CB1 binding score: -14.239
InChIKey:YZKPUDNQCIDPMY-UHFFFAOYSA-N
ID: 43518
SMILES:CCCCCc1c(O)c2c(c(C=O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.714
InChIKey:HDIIKSLZAYNVEZ-UHFFFAOYSA-N
ID: 43519
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 43520
SMILES:Oc1c(C(C2CC=C(CCC=C(C)C)CO2)(C)C)c2c(O)cc(CCCCC)cc2c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.547
InChIKey:FSOHOFATDXRNRG-UHFFFAOYSA-N
ID: 43521
SMILES:C(Cc1cc(O)c(CC=C(C)C)c(O)c1)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 43522
SMILES:C1C(=O)C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.88
InChIKey:UBLVLGBCMDWGPP-UHFFFAOYSA-N
ID: 43523
SMILES:CC(=O)C(C(O)c1c2c(c(O)c(CC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC21)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.765
InChIKey:QGVBRQRQUCVGHU-UHFFFAOYSA-N
ID: 43524
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)CC(C)=CCCC2(C)C(CC1)C(=CCC=C(C)C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.781
CB1 binding score: Not available
InChIKey:ANZQEWJPSJIYGJ-UHFFFAOYSA-N
ID: 43525
SMILES:Oc1cc(-c2c(O)cc(CCCCC)cc2O)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.71
InChIKey:USKDEEOMGOJHQR-UHFFFAOYSA-N
ID: 43526
SMILES:C12(C)Oc3c(c(OC(CCC)=O)cc(C(C)C(OC(=O)C)CCC)c3)C(C3C(C)(C)O3)C(C1=O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -14.533
InChIKey:RBIPKTFFJIEOIT-UHFFFAOYSA-N
ID: 43527
SMILES:C1C23c4c(cc(CCC)cc4O)OC(C)(CCC2OC1=O)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.237
InChIKey:PHKQZOMSXGSDFC-UHFFFAOYSA-N
ID: 43528
SMILES:C1(=O)C2(C)CCC(C(C)C)C2c2c(cc(CCCCC)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:PCVJZMJVVXZXLG-UHFFFAOYSA-N
ID: 43529
SMILES:C(Oc1cc(CCCCC)cc2c1-c1ccc3c(c1-2)cccc3CC)C1CC(C=CC)=CCC1CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.72
CB1 binding score: -13.091
InChIKey:SETNXFDLEHGKGG-UHFFFAOYSA-N
ID: 43530
SMILES:C(C(C=C(CCCC)C)O)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.637
InChIKey:TXVSRIUUWFFZFJ-UHFFFAOYSA-N
ID: 43531
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1(O)C(CC(C)=C)C21)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.456
InChIKey:AORMLUZXSQDQBS-UHFFFAOYSA-N
ID: 43532
SMILES:c12c(O)cc(CCCCC)cc1OC(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: 43533
SMILES:C(Cc1cc(O)c(CC=C(CCC(=C(C)C)O)C)c(O)c1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 358.522
CB1 binding score: -15.658
InChIKey:GKMIKKKUFROVDX-UHFFFAOYSA-N