ID: 52837
SMILES:C1C(C(OC2OC(C)C(O)C(O)C2O)(C)C)CCC(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.653
CB1 binding score: -13.837
InChIKey:KFJKZFZZPHQDPJ-UHFFFAOYSA-N
ID: 52838
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C(C)=CCCc1cocc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -14.945
InChIKey:HFJHNZOFTAEPSF-UHFFFAOYSA-N
ID: 52839
SMILES:CC1(CCC=C(C)C)C2(Cc3c(cc(O)cc3C)O2)OC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.95
InChIKey:CBNIWFHRDOAJTE-UHFFFAOYSA-N
ID: 52840
SMILES:C(CC=C(C)C)C(CCCC(C)=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 52841
SMILES:C1C2C(O)(C)c3c4c(c(C)cc3O)OC(C)(C)C4CC(=C2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -14.627
InChIKey:MUOINETXNHZILM-UHFFFAOYSA-N
ID: 52842
SMILES:C1(=O)C=C(C)CC2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 52843
SMILES:C12(C)C(OC3C1c1c(cc(CCCCC)cc1O)O3)CC(=O)C(=C)C2CCC=C(C)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.563
CB1 binding score: -15.287
InChIKey:FOTREYHMVXOZBG-UHFFFAOYSA-N
ID: 52844
SMILES:C(CCCCC(c1cc2c3c(c1O)OC1(C)CC3C(CC1)C(C)(C)O2)=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.374
InChIKey:DIPJFIIZANXVSA-UHFFFAOYSA-N
ID: 52845
SMILES:CC(=CCCC(C)=CCc1c(O)c(CCC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.708
InChIKey:RPJFNDMWNLYLOA-UHFFFAOYSA-N
ID: 52846
SMILES:C(CCCc1cc(O)c(C2C=C(C)C(O)C(O)C2)c(O)c1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.004
InChIKey:GWSCROQGNLISAB-UHFFFAOYSA-N
ID: 52847
SMILES:O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC2=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.389
InChIKey:ZNXWGVXUMHHSMN-UHFFFAOYSA-N
ID: 52848
SMILES:C(=O)C1=CC2C(C(C)(C)Oc3cc(CCc4cccc(O)c4)c(O)cc32)CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 378.468
CB1 binding score: -11.315
InChIKey:LICUFPGJZWYWBD-UHFFFAOYSA-N
ID: 52849
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(=C)CO2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.421
CB1 binding score: -15.374
InChIKey:MHICQQYOYVTNJZ-UHFFFAOYSA-N
ID: 52850
SMILES:O1C(C)(C)C2C(c3c(O)cc(CC)cc31)C(C)C1CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.821
InChIKey:IRPYKTYAPSNWRN-UHFFFAOYSA-N
ID: 52851
SMILES:c1(CC(CC(C=C(C(O)=O)C)O)C)cc(O)c(C2OC(O)C(CCC=C(C)C)=CC2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -14.759
InChIKey:BHCIGDGHAJPLIL-UHFFFAOYSA-N
ID: 52852
SMILES:c1c(CCCC(CC(C)=CC(CC(C)CC)C)C)cc(O)c(C2C(C(C)C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.766
CB1 binding score: -19.16
InChIKey:AXKFYNGDRUTDES-UHFFFAOYSA-N
ID: 52853
SMILES:C12(C)CCC3C(C)(C)Oc4cc(CCCCC)ccc4OC13C=CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.445
InChIKey:PEIXKSQMEOFIDD-UHFFFAOYSA-N
ID: 52854
SMILES:CC1=CC2C(C(C)(C)Oc3ccc(C(OC)=O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.44
InChIKey:DQPOCJSRGRWBHT-UHFFFAOYSA-N
ID: 52855
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -18.202
InChIKey:MEXBLNORPUBQPI-UHFFFAOYSA-N
ID: 52856
SMILES:c1(O)c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 52857
SMILES:OC(=O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.334
InChIKey:RQOBNZZDAUYTQK-UHFFFAOYSA-N