ID: 90847
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 90848
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)c1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90849
SMILES:C1C2C(CC(C=C(C)C)Cl)(C)C(Br)CCC2(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 497.945
CB1 binding score: -15.327
InChIKey:FDOOEIPOMWWDSB-UHFFFAOYSA-N
ID: 90850
SMILES:COc1cc(CCCC)cc2c1OC1(C)C3C2C(C)(C)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.567
InChIKey:SCCXMZSNLKSNBY-UHFFFAOYSA-N
ID: 90851
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C=O)=CC1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.577
InChIKey:SFVWUWVCLQHDBN-UHFFFAOYSA-N
ID: 90852
SMILES:C12C3C(C)CCC1(OC3=O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.014
InChIKey:LWIFDLGAFLWGOD-UHFFFAOYSA-N
ID: 90853
SMILES:CC1=C(C)CCC(C)(c2c(O)cc(CCCCC)cc2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.706
InChIKey:FUESGKYAQNWCJZ-UHFFFAOYSA-N
ID: 90854
SMILES:C1CC(O)(C)C(O)C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 90855
SMILES:c1(O)c2c(cc(CCCCC)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: 90856
SMILES:CC(C(Oc1c2c(cc(C)c1)OC(C)(C)C1CC=C(CO)CC21)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.258
InChIKey:LPFGQXADUNSFEF-UHFFFAOYSA-N
ID: 90857
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1=CC(O)C(C)(O)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.885
InChIKey:UYLCHVWQAKTFSY-UHFFFAOYSA-N
ID: 90858
SMILES:CC1=CC2CC1c1c(cc(CCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.521
InChIKey:RGHUACCQFJDOIQ-UHFFFAOYSA-N
ID: 90859
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 90860
SMILES:Oc1ccc(CC2c3c(cc(O)c4c3OC(CCC=C(C)C)(C)C3CCC(C)=CC34)cc(O)c2=O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.635
CB1 binding score: -15.916
InChIKey:VXJRARLFFQCJAV-UHFFFAOYSA-N
ID: 90861
SMILES:c12cc(CCCCC)cc(O)c1oc(-c1c(CCCCC)cc3c(c1O)-c1c(ccc(C)c1)C(C)(C)O3)c2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.689
CB1 binding score: -16.164
InChIKey:MZRWMKDXKVADQE-UHFFFAOYSA-N
ID: 90862
SMILES:C(CCC(=CCCC1(C)Oc2c(c3c(cc2O)OC3(C)C)cc(Cl)c(Cl)c1)C)(C)(OC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 509.47
CB1 binding score: -15.616
InChIKey:MSHRIAHPLFVLSE-UHFFFAOYSA-N
ID: 90863
SMILES:CC(CCC=C(C)C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 90864
SMILES:c1(CCCCC)cc2c(c(O)c1C(OC)=O)C=C(O)C(CC=C(CCC=C(C)C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.058
InChIKey:PITKEHFFSDVULT-UHFFFAOYSA-N
ID: 90865
SMILES:C1=C(C)CC=CC(C)(C)Oc2cc(CCCCC)c(O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.175
InChIKey:VHKLKSMGJSXEMV-UHFFFAOYSA-N
ID: 90866
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 90867
SMILES:CC1(C)Oc2cc(CCCC)cc(O)c2C2C1CC(OC(=O)C)C(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.714
InChIKey:CQDYKLZLWSQOIW-UHFFFAOYSA-N