ID: 96412
SMILES:Oc1c(C(C(=O)OC)CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.287
InChIKey:HNTUAPITNYFYCJ-UHFFFAOYSA-N
ID: 96413
SMILES:Oc1c2c(cc(C(CCCC(C)CO)C)c1)OC(C)(C)C1CCC(O)(C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.616
InChIKey:ZODAOGPWOXZDTM-UHFFFAOYSA-N
ID: 96414
SMILES:c1(OC)cc(O)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.879
InChIKey:QUTSEXVWDYCFLT-UHFFFAOYSA-N
ID: 96415
SMILES:C(CC=C(CCC=C(C)C)C)C(=CCc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 96416
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.389
InChIKey:UHEDSPPIFUFKCL-UHFFFAOYSA-N
ID: 96417
SMILES:C1(=O)C2(Oc3c(c(O)cc(CCCCC)c3)C2C(=O)OC)C(O)CCC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -14.107
InChIKey:WOIPDMBMBWXZEQ-UHFFFAOYSA-N
ID: 96418
SMILES:C12C=C(C)C(O)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 96419
SMILES:C1C(O)(C)C2C(C(C)(C)Oc3cc(CCCCC)c(OC)c(O)c32)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.778
InChIKey:LJJDMLFENUNMBE-UHFFFAOYSA-N
ID: 96420
SMILES:CC1(C)C2CC=C(C)CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 96421
SMILES:CC(=O)CC(C)C(O)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.768
InChIKey:HBMYQQAVDZHXPY-UHFFFAOYSA-N
ID: 96422
SMILES:CC(C1C2C=CC(=O)CC2c2c(O)c(C(O)=O)c(CCCCC)cc2O1)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.528
InChIKey:YZIYMJPBGOZYPI-UHFFFAOYSA-N
ID: 96423
SMILES:C1(C)CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.93
InChIKey:FHAUSPKKUDEPON-UHFFFAOYSA-N
ID: 96424
SMILES:C123CCCC1(C)C(=C)CC2c1c(O)cc(CCCC)cc1O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -12.988
InChIKey:JILJNEHFXOWRAU-UHFFFAOYSA-N
ID: 96425
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC=C(C)C)C(C)(C)C2(Oc2c(c(O)cc(O)c2)C1=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -15.477
InChIKey:PZHLKMRLPZMGGW-UHFFFAOYSA-N
ID: 96426
SMILES:C(C)CCCc1cc(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: 96427
SMILES:BrC1=C2C(CCC1(O)C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.364
CB1 binding score: -15.816
InChIKey:ZJGVFBXRJVKBMM-UHFFFAOYSA-N
ID: 96428
SMILES:O=C(C1(CCCC)CCC(CCC=C(C)C)=CC1c1c(O)cc(CCCCC)cc1O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.122
InChIKey:WOTUICVCXRMXNY-UHFFFAOYSA-N
ID: 96429
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 96430
SMILES:C12(C)CCC(C(=C)C)C(c3c(O)cc(CCCCC)cc3O)OC(C)(C(=O)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: Not available
InChIKey:ALYPMEPQVRWRLG-UHFFFAOYSA-N
ID: 96431
SMILES:C1C(C)C(C=O)C2(O)C(C1)C(C)(C)Oc1c2c(OC)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.62
InChIKey:KDQYGCDGOWSOMQ-UHFFFAOYSA-N
ID: 96432
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.439
InChIKey:ULQQTZKGBJQMOW-UHFFFAOYSA-N