ID: 55315
SMILES:C(O)Cc1c(C)c2c(cc1CCCCC)OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -16.931
InChIKey:QTDXFTIDSGFEIN-UHFFFAOYSA-N
ID: 55316
SMILES:C(C)CCc1cc2c(c(O)c1)C1C(C(=C)CCC=C(C)C)CC(C(O)(C)CC=CC(C)(C)O)OC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -15.954
InChIKey:XDVVHLSJBVNGCA-UHFFFAOYSA-N
ID: 55317
SMILES:CC1(C)CCCC(C)=C1C=CC(=O)C1(O)Oc2c(c(OC)cc(CCCCC)c2)-c2c1c(C)ccc2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -5.297
InChIKey:AEWFNVHEAAIEMI-UHFFFAOYSA-N
ID: 55318
SMILES:CC1C2CC=C(C)CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.905
InChIKey:ITBPRTCQPUSTKO-UHFFFAOYSA-N
ID: 55319
SMILES:C(=C(C)CCC=C(C)C)Cc1cc(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.917
InChIKey:BYYZHJIATPYDTN-UHFFFAOYSA-N
ID: 55320
SMILES:c1(C(=O)O)cc(OC)c(O)c(C(Cc2c(O)c(CC=C(CCC=C(C)C)C)c(O)cc2CCCCC)=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -16.351
InChIKey:DFEWOYGLLVPUNC-UHFFFAOYSA-N
ID: 55321
SMILES:Oc1cc(CO)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.023
InChIKey:QIUUOTOYUFAURB-UHFFFAOYSA-N
ID: 55322
SMILES:C(Cc1c2c3c4c(c1)OC(C)(C)C2CCC(C)(O3)C4)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.692
InChIKey:ZRYLOJPUCADKSP-UHFFFAOYSA-N
ID: 55323
SMILES:c1c2c(cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 55324
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(CCC=C(C)C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 55325
SMILES:Oc1cc(CCC)cc2c1CC(C(C)(C)O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -18.009
InChIKey:YJDYXUGGZWSIRX-UHFFFAOYSA-N
ID: 55326
SMILES:C1(Br)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.261
CB1 binding score: -17.061
InChIKey:CINLPKDSTQJRTO-UHFFFAOYSA-N
ID: 55327
SMILES:C12C(C)COC1(C)Oc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.632
InChIKey:CAATVNNNJFGZNK-UHFFFAOYSA-N
ID: 55328
SMILES:C1(OC(=O)C)C(C)(C)OC(c2c(OC)ccc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.612
InChIKey:DVDMVNHYXOXSNI-UHFFFAOYSA-N
ID: 55329
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55330
SMILES:C(c1c2c(cc(O)c1O)OC(C)(C)C1CCC(C)=CC21)CC(C)CCCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.261
InChIKey:WDXXFQQRLYVOQT-UHFFFAOYSA-N
ID: 55331
SMILES:O(c1c2c(cc(CCCCC)c1)OC1(C)CCC3C(C)(CCC(C(C)C)O3)C1(O)O2)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -16.241
InChIKey:YZMWNCVWFBNZCH-UHFFFAOYSA-N
ID: 55332
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)C(O)C(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.8
InChIKey:YUHHNTLIBZRWFO-UHFFFAOYSA-N
ID: 55333
SMILES:Cc1c2c3c(c(O)c(CC4C(C)(C)C(=C)CC4)c2=[nH]1)OC(C)(C)C1CCC(C)=CC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.582
CB1 binding score: -14.228
InChIKey:YFJDFLWXFSOQAB-UHFFFAOYSA-N
ID: 55334
SMILES:CC1CC=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.428
InChIKey:YDZCSHYLOKGWIY-UHFFFAOYSA-N
ID: 55335
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C(O)=O)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -13.933
InChIKey:NFHWLQLNRJJGRD-UHFFFAOYSA-N