ID: 5335
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3(CO)C1OC(C)C3C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -15.873
InChIKey:XWJJMLSHBNHJBH-UHFFFAOYSA-N
ID: 5336
SMILES:COc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.273
InChIKey:QQKRWAQYJVGZFH-UHFFFAOYSA-N
ID: 5337
SMILES:c1c(C)c(CCC2(C)Oc3c(c(O)cc(C(C)OC)c3)CC2)cc(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 492.7
CB1 binding score: -15.147
InChIKey:HQSOJXSRCXKCRF-UHFFFAOYSA-N
ID: 5338
SMILES:COc1cc2c3c(c1OCC=C(C)CCCC(C)(C)OC)OC(C(C)=C)CC31OC(Cc3ccc(OC)cc3)C1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.8
CB1 binding score: -14.656
InChIKey:XAKUCKLPQBDBPR-UHFFFAOYSA-N
ID: 5339
SMILES:C12CC(C)CCC1C(C)(C)Oc1cc(CCCCC)c(I)c(c1O)-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.381
CB1 binding score: -15.87
InChIKey:XBSXZYNASWININ-UHFFFAOYSA-N
ID: 5340
SMILES:C(=C(CC=C(C)C)C(OC)(C)C)Cc1c(O)cc(CCCCC)c2c1OC(C)(C)C1=C2C(=O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -8.628
InChIKey:XNWXRIOOXFXDLS-UHFFFAOYSA-N
ID: 5341
SMILES:C(=C(CCC=C(C)C)C)C(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(CO)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -14.736
InChIKey:CXMWAYMDBHICAT-UHFFFAOYSA-N
ID: 5342
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC(OC(=O)C)C1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.649
InChIKey:VSGJSVCYNDIDNH-UHFFFAOYSA-N
ID: 5343
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 5344
SMILES:C(C(C)CC)(=O)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.08
InChIKey:JOWHRXKYMKCHKD-UHFFFAOYSA-N
ID: 5345
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CC(CC(C)C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.133
InChIKey:SCQOLKRNEDAOEE-UHFFFAOYSA-N
ID: 5346
SMILES:C1C=CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.739
InChIKey:AIOAOMVJKLVQOG-UHFFFAOYSA-N
ID: 5347
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C2C3=C(C1=O)C(C(C)C)CCC3=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -16.608
InChIKey:STPMOTMZZQMTGM-UHFFFAOYSA-N
ID: 5348
SMILES:c1c(C(CCC=C(C(C(O)=O)C=C(C)C)C)(OC)C)c(O)c(C)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -12.428
InChIKey:CBQVRQGPDFJBBJ-UHFFFAOYSA-N
ID: 5349
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.168
InChIKey:OGQUFUKUTFQVAV-UHFFFAOYSA-N
ID: 5350
SMILES:C(CCCCO)c1cc2c(c(O)c1C(OC)=O)-c1cc(O)c(CC=C(CCC=C(C)C)C)c(OC)c1CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -16.11
InChIKey:JUSJRJGCHPXIAN-UHFFFAOYSA-N
ID: 5351
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(CCCC(C)CCCC(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 498.748
CB1 binding score: -14.468
InChIKey:AKZVKUIIKNEKSA-UHFFFAOYSA-N
ID: 5352
SMILES:OC1C2C(=C)C1c3c(cc(CCCCC)cc3)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.015
InChIKey:ILUQKSLVFSFCDD-UHFFFAOYSA-N
ID: 5353
SMILES:c1c(C(=O)SC2CC(C(C)C)=CCC3=C2C(c2c(O)cc(CCCCC)cc2OC)OC3(C)C)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.762
CB1 binding score: -15.467
InChIKey:TZNXSXDNXKPPMN-UHFFFAOYSA-N
ID: 5354
SMILES:c1(O)c2c(cc(C(C(CC)OC(C)=O)(C)C)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.685
InChIKey:IQAHMDFFQGACMS-UHFFFAOYSA-N
ID: 5355
SMILES:c1(CC(O)C)cc(O)c2c(c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -12.723
InChIKey:SKNNBQMPVCTQNG-UHFFFAOYSA-N