ID: 68587
SMILES:C1=C(C(C)C)CCC2(C)Oc3cc(CCCCC)c(C(=O)O)cc3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.757
InChIKey:VBAHZICDILALSM-UHFFFAOYSA-N
ID: 68588
SMILES:C(=C(C)C)C(Oc1cc(O)c(C(C(C)CC)=O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -11.899
InChIKey:LJPDYXRLGUVSST-UHFFFAOYSA-N
ID: 68589
SMILES:C12c3c(OC)cc(O)c(C)c3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.966
InChIKey:BKFFPWPQSQKIDM-UHFFFAOYSA-N
ID: 68590
SMILES:c1(O)c2c(cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 68591
SMILES:CCCCCc1c(C(O)=O)c(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 68592
SMILES:Oc1c(C(OC)=O)c(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.655
InChIKey:NXZDXWJCKZRQHS-UHFFFAOYSA-N
ID: 68593
SMILES:C(Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)C3C21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.315
InChIKey:VIERFOSRWLUWTA-UHFFFAOYSA-N
ID: 68594
SMILES:CC(O)(C1Cc2c(O)c(C(=O)O)c(CCCCC)cc2O1)CCC=C(C)C#CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -17.123
InChIKey:LYLOVXYPFCKSBF-UHFFFAOYSA-N
ID: 68595
SMILES:O=C(Oc1cc(CCCCC)ccc1C1C=C(C)CCC1C(CC(C=C(C)C)=O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.256
InChIKey:NPYUZYLKWAKJMT-UHFFFAOYSA-N
ID: 68596
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 68597
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 68598
SMILES:C(C)CCCc1ccc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.141
InChIKey:XFSLHYHFWBPGED-UHFFFAOYSA-N
ID: 68599
SMILES:C12C(C)=CC=C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -17.922
InChIKey:XYRXUPYKRNNNDE-UHFFFAOYSA-N
ID: 68600
SMILES:C(C1=C(C)CCC2C1c1c(cc(CCCCC)cc1O)OC2(C)C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.383
InChIKey:JAQXOSCQFKAIGI-UHFFFAOYSA-N
ID: 68601
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 68602
SMILES:CC1(C)C2C(C)(CC(=O)O1)Oc1cc(CCC(CC)O)cc(O)c1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -14.361
InChIKey:NBZOHPCCRKKJIG-UHFFFAOYSA-N
ID: 68603
SMILES:Oc1c(O)c2c(cc1C(C)C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.638
InChIKey:KNZHIMYZHKNYSW-UHFFFAOYSA-N
ID: 68604
SMILES:OC(=O)C1(C)C=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.551
InChIKey:IFZAWCFMUIPNOM-UHFFFAOYSA-N
ID: 68605
SMILES:C1C(C)CCC2C3C(OOC13c1c(cc(CCCCC)cc1O)O2)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -16.728
InChIKey:VKWHDWHJSAGGOJ-UHFFFAOYSA-N
ID: 68606
SMILES:CC(C)C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.304
InChIKey:MLCYRUTXUZZKHD-UHFFFAOYSA-N
ID: 68607
SMILES:C1=C(C)CC(O)C2C(C)(C)Oc3c(cc(O)cc3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.277
InChIKey:GQGFNTIDIOATQF-UHFFFAOYSA-N