ID: 77449
SMILES:C1=C(C)CCC2C1C(C)(C)Oc1c2c(OC)cc(CCCCCCCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -16.911
InChIKey:MBNHVKKQQGTQDC-UHFFFAOYSA-N
ID: 77450
SMILES:CC(C)=CCCC(=CCc1cc(O)cc(CC(=O)C(=C)C2CCC(C)(C)O2)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.263
InChIKey:FYZIEPMCAJOBLM-UHFFFAOYSA-N
ID: 77451
SMILES:c1c(O)c2c(c3c1CC(C(=C)C)O3)OC(C)(C)C1(O)C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -14.744
InChIKey:BSNJNMRQMNWUFK-UHFFFAOYSA-N
ID: 77452
SMILES:C1(C)(C)Oc2c(c(O)cc(-c3ccc(O)cc3Cl)c2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.876
CB1 binding score: -16.717
InChIKey:GYUDCKLWCJOMOH-UHFFFAOYSA-N
ID: 77453
SMILES:C1(=O)C(=C)CC2C(C(C)(C)Oc3c(c(O)cc(CC)c3)C2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.151
InChIKey:FMTRWURUJLEPJB-UHFFFAOYSA-N
ID: 77454
SMILES:C12(C)CCC(C13CO3)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -12.901
InChIKey:XHODLUHTTWTBDF-UHFFFAOYSA-N
ID: 77455
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 77456
SMILES:C1C2C(c3c(O)cc(CCCCC)cc31)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.181
InChIKey:HNQOZWMQMRMFCD-UHFFFAOYSA-N
ID: 77457
SMILES:C1C(O)C(C)=C2C(O)(c3c(O)cc(CCCCC)cc3OC2(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -10.06
InChIKey:PPYFYRWGHMVIJN-UHFFFAOYSA-N
ID: 77458
SMILES:CC1(C)c2cc(c3c(c2)-c2c(O)cc(C)c(O)c2CC3)C(=O)C2(C(C)C1)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.673
CB1 binding score: -16.502
InChIKey:FGVJEWRMKYUDCF-UHFFFAOYSA-N
ID: 77459
SMILES:c1(CCc2cc(O)cc(O)c2)cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 394.511
CB1 binding score: -15.142
InChIKey:OBGBTQPYJDFCAT-UHFFFAOYSA-N
ID: 77460
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CCC(=C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.913
InChIKey:NEVYBJVSWZLBLS-UHFFFAOYSA-N
ID: 77461
SMILES:C(C)(=C)C1C(c2c(O)cc(CCCCC)cc2O)C(O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.773
InChIKey:HMMNBBBNWNJQIX-UHFFFAOYSA-N
ID: 77462
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77463
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77464
SMILES:C(Cc1cc(C2C=C(CO)CCC2C(=C)C)c(COC(=O)C)c(OC)c1)(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -14.284
InChIKey:RYKPBPOEFPJVPO-UHFFFAOYSA-N
ID: 77465
SMILES:C(CCC[n+]1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.537
CB1 binding score: -14.454
InChIKey:HFEMPUFXZOHKKM-UHFFFAOYSA-O
ID: 77466
SMILES:CC1(C)C2C3(C)SC(C)=C(C(=O)C2)C3=CC(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.346
CB1 binding score: -16.608
InChIKey:KUWMRLDHBJSDOE-UHFFFAOYSA-N
ID: 77467
SMILES:c1(O)c(C(C(C)=C)c2c(O)cc(C)c3c2CC(C(=C)C)C2C=C(C(=O)O3)CCC2C(C)C)c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 586.813
CB1 binding score: -11.791
InChIKey:WCZKNJRPKZKQQS-UHFFFAOYSA-N
ID: 77468
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(O)(C)C)(O2)CC2C(O)(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.069
InChIKey:OHLQKFGSLPFVPT-UHFFFAOYSA-N
ID: 77469
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C=CC=C(C)C)OC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -17.187
InChIKey:QJPDCIRODYCOMC-UHFFFAOYSA-N