ID: 89902
SMILES:Oc1c2c(c3c(c1)OCC(C)O3)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.578
InChIKey:YFRIWTZOFUIFMX-UHFFFAOYSA-N
ID: 89903
SMILES:C1(C)(C)C(CCC2(C)C=Cc3cc(O)ccc3O2)(C(C)(O)C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.293
InChIKey:BUCIHMAESFECFP-UHFFFAOYSA-N
ID: 89904
SMILES:C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C=C2C(OC)OC(=O)C2=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -14.578
InChIKey:YOJSJZUPRRDBEY-UHFFFAOYSA-N
ID: 89905
SMILES:C(Cc1c(O)cc(CCCCC)c(C(=O)OC(C)=O)c1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 402.531
CB1 binding score: -17.664
InChIKey:AYIRJXPFGGVROY-UHFFFAOYSA-N
ID: 89906
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 89907
SMILES:C1C(C)=CC2c3c(cc(CCCCC)c(C=O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 89908
SMILES:c1(O)c(C(C(=O)C(C)C)C)c2c(c(C=O)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.809
InChIKey:UVCFMBBPPDVLHA-UHFFFAOYSA-N
ID: 89909
SMILES:C1C(C=C)(C)Oc2c(c(C(=O)O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -11.457
InChIKey:AQIUTBMQCHRSMI-UHFFFAOYSA-N
ID: 89910
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)C1CC(O)C(C)(C)C(=O)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.99
InChIKey:UAMLGWSDVALJRU-UHFFFAOYSA-N
ID: 89911
SMILES:C(C(Oc1c2c(c(O)c(CC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1)C(CC)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -12.995
InChIKey:XLKXJEIQBCCIPT-UHFFFAOYSA-N
ID: 89912
SMILES:O1CC(C)CCC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -14.422
InChIKey:MEGFLRIOAKPLKO-UHFFFAOYSA-N
ID: 89913
SMILES:C1c2c(C)c(O)c(O)c3c2c(cc(C)c3OCCCC)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.212
InChIKey:OGKTYLVJWRDNEV-UHFFFAOYSA-N
ID: 89914
SMILES:C(C)(C)=CCc1c(OS(O)(=O)=O)c(CC(OC(C)C)c2ccccc2)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.749
CB1 binding score: -15.663
InChIKey:MQLFLMLDXDDTDC-UHFFFAOYSA-N
ID: 89915
SMILES:CCCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 89916
SMILES:C(C(CC(C)C1CCC(C)C12Oc1c(c(O)cc(CCC)c1)C2)O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.668
InChIKey:ZYBMIPIXNBRDMR-UHFFFAOYSA-N
ID: 89917
SMILES:C1=C(C)CCC(C(O)(C)C)C1c1c(O)ccc(C(=O)C(CC)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.572
InChIKey:FBXKBNIXSCWVNU-UHFFFAOYSA-N
ID: 89918
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C(O)C=C(C)C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.567
InChIKey:URRJUSLCXVXZOX-UHFFFAOYSA-N
ID: 89919
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 89920
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 89921
SMILES:O=C1C2(C)CCC3C(C)(C2C(O)CC(C(O)=O)C1C(C=C(C)C)O)Oc1c3c(O)cc(CCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -15.217
InChIKey:DMAISJAOVFLYJB-UHFFFAOYSA-N
ID: 89922
SMILES:C12c3c(cc(CCCC(O)C)cc3OC1(C)C)OC(C(C)(Cl)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.902
CB1 binding score: -15.769
InChIKey:LLZLMUNJOARKDB-UHFFFAOYSA-N