ID: 47881
SMILES:c1c(C)c(CC=C(CCC=C(C)C)C)c(O)c2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 394.599
CB1 binding score: -14.079
InChIKey:QBCCJCRBUWWQRO-UHFFFAOYSA-N
ID: 47882
SMILES:O=C(O)c1c(CCCCC)cc(O)c2c1OC(CCC=C(C)C)(C)C2C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.519
InChIKey:FVLPFLVBCXKZFJ-UHFFFAOYSA-N
ID: 47883
SMILES:C1(CC=C)c2c(c(O)c(CCCCC)cc2O)OC2(C)CCC3C(C)(C)CC3C(C)=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.146
InChIKey:VITNKCWNONVKNT-UHFFFAOYSA-N
ID: 47884
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.843
InChIKey:MYLFKTPNSADCFA-UHFFFAOYSA-N
ID: 47885
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 47886
SMILES:c1(C(CC(CC(CC)C)C)C)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c(CC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.738
CB1 binding score: -14.912
InChIKey:WTMBIVMAVPZZSQ-UHFFFAOYSA-N
ID: 47887
SMILES:C12C(C(C)(C)Oc3c(c(CCC)cc(O)c3O)C1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.307
InChIKey:ADYNWPPAEFRGAI-UHFFFAOYSA-N
ID: 47888
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 47889
SMILES:COc1c2c(c(OC)c(CCC=CC)c1OC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.909
InChIKey:DNLPCTLEXXENEZ-UHFFFAOYSA-N
ID: 47890
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2)(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -14.701
InChIKey:ISXDNJWLXDYNQA-UHFFFAOYSA-N
ID: 47891
SMILES:ClC1C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1C#N
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 321.848
CB1 binding score: -15.929
InChIKey:KJUVZXRDQLGRQW-UHFFFAOYSA-N
ID: 47892
SMILES:O=Cc1c2c(cc(C)c1CCCC(C)C)CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.687
InChIKey:ZZFXOZOVBCJKBU-UHFFFAOYSA-N
ID: 47893
SMILES:C1C=C(C)C2=C(c3c(cc(CCC(=O)O)cc3OC)OC2(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -13.561
InChIKey:HERZGHWFFRBASI-UHFFFAOYSA-N
ID: 47894
SMILES:C(=C(C)C=O)CCC(=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.362
InChIKey:SCTYVZBLJHNBAI-UHFFFAOYSA-N
ID: 47895
SMILES:C1C(O)C(C)C2(O)C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.579
InChIKey:HTURFWUCJLBGJG-UHFFFAOYSA-N
ID: 47896
SMILES:c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(O)(C)C2CCC(C)=C2C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.189
InChIKey:QDFYKQXELBUCOM-UHFFFAOYSA-N
ID: 47897
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 47898
SMILES:C(C=C(C=CCC(CC)C)C)CC(C)=CCc1c(O)cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.078
InChIKey:CDZVMVIBUCKFMP-UHFFFAOYSA-N
ID: 47899
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(CCC=C(CCC=C(C)C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.071
InChIKey:KOIWJUXASCTNFR-UHFFFAOYSA-N
ID: 47900
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C(OC)=O)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.703
InChIKey:ODGYRHKHFGCIRR-UHFFFAOYSA-N
ID: 47901
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.718
InChIKey:BEMDFPISFCAMPJ-UHFFFAOYSA-N