ID: 54580
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C(CC=C(C)C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.502
InChIKey:UITMNBHBRSUVLB-UHFFFAOYSA-N
ID: 54581
SMILES:O1C(=O)C(CC=CC(C)C)(C)C2C3C(C(C)=CC12)Oc1c3c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.91
InChIKey:JDPUWCFGFTURGG-UHFFFAOYSA-N
ID: 54582
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1C2CC(Cc2ccc(O)cc2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -14.824
InChIKey:IHZWFRDGVJODTQ-UHFFFAOYSA-N
ID: 54583
SMILES:c1c(COCC)cc(OC)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.7
InChIKey:JXWXCUYJJCAVDI-UHFFFAOYSA-N
ID: 54584
SMILES:C1=C(CO)C(C)C(c2c(O)cc(CCCCC)cc2)CC(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.055
InChIKey:CQGYNASXTYOEHZ-UHFFFAOYSA-N
ID: 54585
SMILES:c12cc(CCCCC)cc3c(c(O)c1C1C=C(C)CCC1C(C)(C)O3)C(C)(C)C(=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.674
InChIKey:XHWPHIKWZFRYSB-UHFFFAOYSA-N
ID: 54586
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54587
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)=C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 54588
SMILES:c12c(c(O)c(CC=C(C)C)c(O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.155
InChIKey:PZIRWMLUKNUAIS-UHFFFAOYSA-N
ID: 54589
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(C)(OC(=O)C13)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.079
InChIKey:FCHGSDVMUOYFQK-UHFFFAOYSA-N
ID: 54590
SMILES:CC1=CC2C(C(O)C1)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.864
InChIKey:PSWXFXMSIZPJHY-UHFFFAOYSA-N
ID: 54591
SMILES:C(CCCCCC)C(=O)c1c(I)c2c(c(OC)c1)C(=O)C1(O)C(CCC(C)(O)C1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.48
CB1 binding score: -15.929
InChIKey:KZMRZUHOLMXEGW-UHFFFAOYSA-N
ID: 54592
SMILES:C12C(C)=CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.438
InChIKey:VBVZGFDBCPLHTE-UHFFFAOYSA-N
ID: 54593
SMILES:C1(c2c(CCCCC)cc(O)c3c2OC2C(C(C)C)C3C=C(C)C1=O)OC(C)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.563
InChIKey:DPIPXICVTVPTMB-UHFFFAOYSA-N
ID: 54594
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.209
InChIKey:VPDBCGRUZCACNK-UHFFFAOYSA-N
ID: 54595
SMILES:O=C(C)c1c(CCCCC)cc(O)c2c1OC(CCC=C(CCC=C(C)C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.252
InChIKey:GGOJZGJRKPJJEA-UHFFFAOYSA-N
ID: 54596
SMILES:O1C(C)(C)Cc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -17.361
InChIKey:JHLZGNOLXXKESE-UHFFFAOYSA-N
ID: 54597
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 54598
SMILES:C(CC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 54599
SMILES:c1(CCC)cc2c(c(OC)c1)C1CC(C(C)C)C=CC1(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.265
InChIKey:DLMGBCKMBOKCPB-UHFFFAOYSA-N
ID: 54600
SMILES:C1(C(C)(C)O)CC=C(C)CC1c1c(O)c(C(O)CCCC)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -16.1
InChIKey:CIXSVXCNKSWTCY-UHFFFAOYSA-N