ID: 112897
SMILES:C1Cc2cc(Br)c(C)cc2OC(O)(C2CCC(C(C)=C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 529.515
CB1 binding score: -16.438
InChIKey:RDJHOYPRWZYMJF-UHFFFAOYSA-N
ID: 112898
SMILES:c1(-c2c(O)cc(O)cc2CC2C(C)(C)C(O)CCC2=C)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -16.238
InChIKey:PUYRXSFMKZFSGA-UHFFFAOYSA-N
ID: 112899
SMILES:C1(=O)C(CCC=C(C)C)=CC(c2c(O)cc(CCCCC)cc2O)CC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.499
InChIKey:NLWYPNGZKWRCEZ-UHFFFAOYSA-N
ID: 112900
SMILES:O=C1C2c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)C=CC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -11.886
InChIKey:OGAUZOSDJQEQQT-UHFFFAOYSA-N
ID: 112901
SMILES:CC1(C)C2c3c(cc(C)cc3O)OC3(C(=O)O1)CCC(C(C)=C)C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.605
InChIKey:OPWPAXMQQJTCDY-UHFFFAOYSA-N
ID: 112902
SMILES:OC1C2C(c3c(cc(CCCCC)cc3O)O1)CCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.332
InChIKey:UMHLXEJDEQOYNB-UHFFFAOYSA-N
ID: 112903
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 112904
SMILES:C1(C(C)=C)=CCC(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.995
InChIKey:LHLICFIVOBVHOL-UHFFFAOYSA-N
ID: 112905
SMILES:CC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 112906
SMILES:c1(O)c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 112907
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 112908
SMILES:COc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 112909
SMILES:c1(C)c(OC)cc2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -19.208
InChIKey:DBJJYKXSZRYDDY-UHFFFAOYSA-N
ID: 112910
SMILES:C(c1c(C)cc2c(c1)C=CC(CCC=C(C)C)(C)O2)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.519
InChIKey:NDSRDNHPFKPKBZ-UHFFFAOYSA-N
ID: 112911
SMILES:Oc1cc(CCCCC)cc2c1C1C(=C(C)C2)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.153
InChIKey:OZONPMLDELKAJU-UHFFFAOYSA-N
ID: 112912
SMILES:CC(C)=CCC=C(C1Oc2c(c(OC)cc(CCC)c2C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.46
InChIKey:GISKGOBGHXJKHR-UHFFFAOYSA-N
ID: 112913
SMILES:c1(O)cc(CCc2ccc(O)c(O)c2)cc(O)c1CC=C(CCC=C(C)CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -17.946
InChIKey:QGVQNZLGXFEIHT-UHFFFAOYSA-N
ID: 112914
SMILES:C(CCc1cc(O)c(CC2C3OC3(C)CCC2C(C)=CC)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.605
InChIKey:RBFMJBODVAPFSL-UHFFFAOYSA-N
ID: 112915
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 112916
SMILES:CC(=CC(c1cc(O)c2cc1OC(C)(C)C1C(O)CC(C)(O)C=C12)CC(C)(OC(=O)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -14.747
InChIKey:NQAFTKQPCXWNGY-UHFFFAOYSA-N
ID: 112917
SMILES:C1C(C(O)(C)C)CC2C(C)(Oc3cc(C)cc(O)c32)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -14.693
InChIKey:HGSLWJZQBICJHR-UHFFFAOYSA-N