ID: 41413
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.63
InChIKey:JVHZDTKSUFPVNF-UHFFFAOYSA-N
ID: 41414
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 41415
SMILES:C1(C)=CC(=O)C23C(C(C(C)=C)CC2O)Oc2c(c(O)cc(C)c23)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.392
CB1 binding score: -16.438
InChIKey:WYBBVOLGTRMQMP-UHFFFAOYSA-N
ID: 41416
SMILES:CC(C)=CCc1c(O)c(CC=C(C)C)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.899
InChIKey:IMMFSKMXHVUTPH-UHFFFAOYSA-N
ID: 41417
SMILES:C(C)Cc1cc(O)c(C2C(C(O)(C)C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.838
InChIKey:NMMZPZFRMUCCQT-UHFFFAOYSA-N
ID: 41418
SMILES:c12c(O)cc(CCCCC)c(C(O)=O)c1OC1(C)CC2C(CC(C(C)(O)C)O)(C)C2OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -15.383
InChIKey:AMBIGXNRPAHFIB-UHFFFAOYSA-N
ID: 41419
SMILES:C1=Cc2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 41420
SMILES:C(=O)(C1=CC2C(C(C)(C)Oc3cc(CCCCC)c(OC(C)=O)c(O)c32)C=C1)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.508
CB1 binding score: -13.74
InChIKey:FNPJNFFYGHFXRF-UHFFFAOYSA-N
ID: 41421
SMILES:c12c(cc(CCCCC)c(C(OCCC)=O)c1O)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.411
InChIKey:MVQGKFJITNAQCL-UHFFFAOYSA-N
ID: 41422
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1C=C(C)C)CC(C)C(=O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.239
InChIKey:SYHUHTRAWIJORR-UHFFFAOYSA-N
ID: 41423
SMILES:c1(O)c2c(cc(CCCCO)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.759
InChIKey:NIRSQPIJCAWYGX-UHFFFAOYSA-N
ID: 41424
SMILES:C1C(Cl)C(CCC(C(O)(C)C)O)(C)Oc2cc(CCN(C)C)ccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.933
CB1 binding score: -15.784
InChIKey:KWWNQEFHMRUQFD-UHFFFAOYSA-N
ID: 41425
SMILES:C(c1cc(O)c2c(c1C(O)=O)OC(C)(C)C1CCC(C)=CC12)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.233
InChIKey:FNXPEAVVJDTGMH-UHFFFAOYSA-N
ID: 41426
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 41427
SMILES:c1(O)c(CCCC)c2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -12.539
InChIKey:ZNDIEJOXLPQGQA-UHFFFAOYSA-N
ID: 41428
SMILES:C1CC(C)=CC(c2c(O)cccc2)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 41429
SMILES:c1(O)c2c(cc(CCCCC)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: 41430
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)Oc3c(c(O)c(C(=O)C(C)CCC)c(O)c3C=O)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.746
CB1 binding score: -14.24
InChIKey:RRZMAZIIMAPBMK-UHFFFAOYSA-N
ID: 41431
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)(C)C(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.769
InChIKey:QLCPHDNLKVXYKT-UHFFFAOYSA-N
ID: 41432
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.51
InChIKey:LVQZQKXEEYFSQO-UHFFFAOYSA-N
ID: 41433
SMILES:C12(C)C(OC(=O)c3cccnc3)CC(C1OC(=O)C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 481.589
CB1 binding score: -15.717
InChIKey:KFVOCIFGLWRKRP-UHFFFAOYSA-N