ID: 82531
SMILES:c1(C)c(CCC2(C)Oc3cc(CCCCC)cc(O)c3C3C(C)(CCC2)CCC(C(=C)C)C3)ccc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.809
CB1 binding score: -14.978
InChIKey:BMMRFGASQMVIEU-UHFFFAOYSA-N
ID: 82532
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 82533
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 82534
SMILES:c1(O)cc(CCCCC)cc2c1C13C(C(C)(C)O2)CC2C(CCC2C(C)(C)O1)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.288
InChIKey:CJPBKCCXJMGXOF-UHFFFAOYSA-N
ID: 82535
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(cc(C)c3c2OCO3)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.25
InChIKey:PTGURZPXVFCRPH-UHFFFAOYSA-N
ID: 82536
SMILES:c1c(CCCC(CCCC2(C)Oc3c(O)cc(C=O)c(O)c3C(C(=C)C)C2)C)cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -17.463
InChIKey:CHOGYWYEPOCWDG-UHFFFAOYSA-N
ID: 82537
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 82538
SMILES:C1C2C(C(C)(C)Oc3c2c(O)cc(CCCCCO)c3)CC2OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.506
InChIKey:LZLIHWJILQVVLG-UHFFFAOYSA-N
ID: 82539
SMILES:CC1=CC(c2c(O)ccc(CCC(O)CC)c2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.187
InChIKey:FJIHRLHGSHPYDF-UHFFFAOYSA-N
ID: 82540
SMILES:C(Cc1cc(O)cc(CC=C(C)C)c1O)=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 82541
SMILES:C12C(C)(C(CCC(C)=CCc3cc(O)cc(C)c3O)=C(C)CCC1)OC(=O)C2=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -12.853
InChIKey:CYWBWOUONRDFFV-UHFFFAOYSA-N
ID: 82542
SMILES:C(c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)NC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -16.51
InChIKey:MRVJHMXGZJAJAR-UHFFFAOYSA-N
ID: 82543
SMILES:C(c1c(O)c(CC=C(CCC=C(C)C)C)c(O)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.347
InChIKey:ILEGUNSKBLZZPH-UHFFFAOYSA-N
ID: 82544
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(C)(C)C1=C2C=C(C)C(=O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.114
InChIKey:YWSKXLYWBDLNBC-UHFFFAOYSA-N
ID: 82545
SMILES:Oc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 82546
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCC)cc1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -17.81
InChIKey:KVDBNLOKWYLSLD-UHFFFAOYSA-N
ID: 82547
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 82548
SMILES:C(OO)C1(C)Oc2c(c(OC)cc(CCCCC)c2)-c2c(O)c(C(CCC)=O)c(C)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -16.175
InChIKey:INGSADBSZLQRDD-UHFFFAOYSA-N
ID: 82549
SMILES:C1(CCC(C)C=C2OC3C=C(C)CCC3C(C)(C)O2)=CC(=O)C=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.696
InChIKey:JOWRRHFVJOFEHG-UHFFFAOYSA-N
ID: 82550
SMILES:C1(C)(C)C2=C(c3c(O)cc(CCCCC)cc3O1)C(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.078
InChIKey:MZMFRVHMYJFILG-UHFFFAOYSA-N
ID: 82551
SMILES:C1(OC)C(=C)C2c3c(cc(CCCCCC)cc3OC(C)=O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -13.528
InChIKey:YBPWIDNDIZHXDB-UHFFFAOYSA-N