ID: 95656
SMILES:C1(C)=CCCC2(C)Oc3c(c(OC(=O)C)cc(CCCCC)c3)C(C3C(C)(C)C(C)CC3)=CC2c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -14.835
InChIKey:XVLMNOADZGUHKQ-UHFFFAOYSA-N
ID: 95657
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(OC)cc(CCc2ccc(O)c(O)c2)c3Cl)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.956
CB1 binding score: -13.315
InChIKey:ALZBTZPXXYKFPT-UHFFFAOYSA-N
ID: 95658
SMILES:c1(CCCCC)cc2c(c(O)c1)C(C)CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.421
CB1 binding score: -14.984
InChIKey:NXXIOLQQMIZPHW-UHFFFAOYSA-N
ID: 95659
SMILES:c1(CC=CC(C)(O)C)c(C(CCCCC)O)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -13.783
InChIKey:PIBMDBPTZGPPNC-UHFFFAOYSA-N
ID: 95660
SMILES:C1(C(=O)O)=C2C(C)(C(C)CCC1O)C(c1c(O)cc(CCCCC)cc1O)C(C=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -13.646
InChIKey:HBSOTMFKWGLHNG-UHFFFAOYSA-N
ID: 95661
SMILES:c1(CC(O)=O)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.302
InChIKey:OJVLUCGQEAHETD-UHFFFAOYSA-N
ID: 95662
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1ccc(C)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 95663
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 95664
SMILES:C1(C)(C)CCCC2(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.528
InChIKey:RUNFDTKOHGWARR-UHFFFAOYSA-N
ID: 95665
SMILES:CC(=CCc1c(O)cc(CCC)cc1O)CCC(O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.853
InChIKey:PPILNHZRSLMBHT-UHFFFAOYSA-N
ID: 95666
SMILES:Cc1c2c(c(O)c3c1OC1OC(C(O)C(CO)(O)CCC4C(C)(C)Oc5cc(CCCCC)cc(O)c5C41)C(C)(O)CC3)OC(=O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 670.796
CB1 binding score: -16.813
InChIKey:CUERGSHJTAVXPW-UHFFFAOYSA-N
ID: 95667
SMILES:CC(O)(Cc1cc(O)c(CC=C(C)C)c(O)c1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.149
InChIKey:AXUUKBFJBHSZER-UHFFFAOYSA-N
ID: 95668
SMILES:c1(O)c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 95669
SMILES:CC(C)=CCCC(C)=CCc1c(O)c2c(cc1O)C13C(CC(C)=CC1C2)C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -13.037
InChIKey:VZZVURMHZXUGAC-UHFFFAOYSA-N
ID: 95670
SMILES:COC(=O)C1=CCC2C(Cc3ccc(CCCCCCC)cc3O)(CC1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.661
InChIKey:CGORCPUSITZNQE-UHFFFAOYSA-N
ID: 95671
SMILES:c12c(c(=O)cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.943
InChIKey:WPTOTJRJMXSIFF-UHFFFAOYSA-N
ID: 95672
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)OC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -14.434
InChIKey:WJQPRBMWBVENQM-UHFFFAOYSA-N
ID: 95673
SMILES:C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(CC=C(C)C)(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: Not available
InChIKey:PWUKUOUFUFCVNS-UHFFFAOYSA-N
ID: 95674
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 95675
SMILES:CCCCOc1c(OC(CCC)=O)c2c3c(c1)OC(C)(C)C1CCC(C)(C31)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.469
InChIKey:VNTIJNHNAIGTCS-UHFFFAOYSA-N
ID: 95676
SMILES:C12C(C)(CCC=C(C)C)CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.765
InChIKey:JNXOCKAJZCWUBD-UHFFFAOYSA-N