ID: 54286
SMILES:Oc1c(C(=O)CCC(=O)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.251
InChIKey:DNFINEBUCYKDGK-UHFFFAOYSA-N
ID: 54287
SMILES:C12C(Oc3cc(CCCCC)cc4c3CC(C(C)=C)CC4)C=C(C)C(C)C1C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.665
CB1 binding score: -14.405
InChIKey:YCTJYXZMFDEPFF-UHFFFAOYSA-N
ID: 54288
SMILES:C1(C)=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54289
SMILES:C(C)(C)=C1CC(C)(Oc2cc(CCCCC)cc(O)c2)C(O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.121
InChIKey:XXIVCEXFUUJQTI-UHFFFAOYSA-N
ID: 54290
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 54291
SMILES:c1(OC)cc2c(cc1CCCCC)OC(C1(O)C(O)Cc3c4c(cc(OC)c3O1)OC1(C)CC2C(CC1)C(C)(C)O4)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 610.788
CB1 binding score: -15.329
InChIKey:HBPGWQOOSJRKGV-UHFFFAOYSA-N
ID: 54292
SMILES:C=CCC1=CC(C=CC)C(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -13.851
InChIKey:BGPXQOCONBRYGC-UHFFFAOYSA-N
ID: 54293
SMILES:C(=O)(C)OCc1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.871
InChIKey:CEGQKMVFARWBNK-UHFFFAOYSA-N
ID: 54294
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(O)C(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.486
InChIKey:XYAPTVHARGJNHJ-UHFFFAOYSA-N
ID: 54295
SMILES:O(C(c1ccc(C)cc1)C(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1)C(CCCCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.775
CB1 binding score: -16.363
InChIKey:IYOMZCMQWLIYRK-UHFFFAOYSA-N
ID: 54296
SMILES:CC1=CC(c2c(OC)ccc(CC[N+](C)(O)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 54297
SMILES:CC(C1C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.246
InChIKey:XHVVIFQCBQBUEK-UHFFFAOYSA-N
ID: 54298
SMILES:C(C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2)(c1ccc(O)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.395
InChIKey:FISKSZCAFNKXLK-UHFFFAOYSA-N
ID: 54299
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.31
InChIKey:MNROYOVPWIMIIO-UHFFFAOYSA-N
ID: 54300
SMILES:C1C2c3c(O)cc(CCC(=O)C(=C)C)c(CC=C(C)C)c3CC1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -15.408
InChIKey:WJSGTUGZHLYSFX-UHFFFAOYSA-N
ID: 54301
SMILES:C(c1c(CCCC)cc(OC)c(C2C=C(C)CCC2C(=C)C)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -14.518
InChIKey:DPADMTNXBUBPJU-UHFFFAOYSA-N
ID: 54302
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(OC)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.854
InChIKey:OZYYEDPTJXVZJQ-UHFFFAOYSA-N
ID: 54303
SMILES:c1c(OC)c2c(cc1)C(=O)C(OCC)C(CC1C(CCC=C(C)C)=CCC(C)(C)C1)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.047
InChIKey:ILZFONNRVHATBR-UHFFFAOYSA-N
ID: 54304
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 54305
SMILES:c1(CCc2cc(O)cc(O)c2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 380.484
CB1 binding score: -16.849
InChIKey:AAJYWNCTTJUNNH-UHFFFAOYSA-N
ID: 54306
SMILES:C(c1ccc(OCC2C3CC(C(C)(C)Oc4ccc(CCC)cc4-3)C2)cc1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -16.485
InChIKey:UDYIPCCHHSTBHR-UHFFFAOYSA-N