ID: 23668
SMILES:c1(CCCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.421
InChIKey:FPFSIJRBGVWEPR-UHFFFAOYSA-N
ID: 23669
SMILES:C1(O)CC2(C)Oc3c(c(O)cc(CCCCCC)c3)C3C2C(CCC3C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.421
InChIKey:YPHKUAPQKJLEKE-UHFFFAOYSA-N
ID: 23670
SMILES:C12C(C=C(C)CC1)c1c(cc(CCCCCOC(=O)CCCCCC)cc1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -13.581
InChIKey:RBVFOIDNZZOHJX-UHFFFAOYSA-N
ID: 23671
SMILES:C(CCCC)c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.093
InChIKey:OXEBZLVXAFAAPO-UHFFFAOYSA-N
ID: 23672
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 23673
SMILES:c1(O)cc2c(cc1CCCCC)OC1(C)CC=C(C(C)CCC(C(=C)C)=O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -12.799
InChIKey:IKVJHJFDPALNMK-UHFFFAOYSA-N
ID: 23674
SMILES:O=C(C)OC1C(=C)C2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.653
InChIKey:VHOFBBPZFOVYBQ-UHFFFAOYSA-N
ID: 23675
SMILES:C1(c2c(O)cc(CCCC)cc2O)C(O)C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -16.247
InChIKey:ODCAJLCCGXHYDI-UHFFFAOYSA-N
ID: 23676
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2O)OC(CO)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.454
CB1 binding score: -13.616
InChIKey:ZLPQEVSCRKABAE-UHFFFAOYSA-N
ID: 23677
SMILES:C1(C)(C)C(c2c(O)ccc(CCCCC)c2)CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.047
InChIKey:BROKDZXRCNTHEF-UHFFFAOYSA-N
ID: 23678
SMILES:C(Cc1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC21)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.288
InChIKey:XYHRVMSHHIYBJE-UHFFFAOYSA-N
ID: 23679
SMILES:CC1Oc2c(c(O)cc(CCCCC)c2)C2C1(O)C=C(C(C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.953
InChIKey:UWRGYNJAECRZGL-UHFFFAOYSA-N
ID: 23680
SMILES:C(Cc1cc(O)c2c(c1)OC(CCC=C(C)CO)(C)C=C2)(=O)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.568
InChIKey:MUWQTZFKKXCRHA-UHFFFAOYSA-N
ID: 23681
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -12.975
InChIKey:CYMBINBJSQVCFF-UHFFFAOYSA-N
ID: 23682
SMILES:c1ccc(C2C(C(=C)C)C(c3c(OC)cc(CCCCC)cc3O)CC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -15.386
InChIKey:OIIJXCUXRWVLCT-UHFFFAOYSA-N
ID: 23683
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2)C2C(C)CC3(O)C2C(O)(C1=O)C(O)C(O)(COC)C3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.604
CB1 binding score: -15.499
InChIKey:DZOYTJNQWZHCLQ-UHFFFAOYSA-N
ID: 23684
SMILES:OC1C(C2c3c(cc(CCCCC)cc3OC)OC2(C)C)=CC(O)(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.116
InChIKey:BWZHLZGGEOSAJG-UHFFFAOYSA-N
ID: 23685
SMILES:c12cc(CCCCC)cc(O)c1C1=C(C2)Oc2c(c(O)cc(CCCCC)c2)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -15.92
InChIKey:PPZFFYSKQOIZFI-UHFFFAOYSA-N
ID: 23686
SMILES:C(CCCc1cc2c(c(O)c1)C1C3C(CO1)C(C)(CC2)O3)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.21
InChIKey:AFRSSMJZQOCAAO-UHFFFAOYSA-N
ID: 23687
SMILES:C1CC(C)=CC2C(C(C)(C)Oc3c2c(O)cc2c(C(C(C)C)=O)c(O)c(OC)c(C)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -13.912
InChIKey:DPEIBVXCKDSSLH-UHFFFAOYSA-N
ID: 23688
SMILES:C(=C)(C)C1C2C3CC4([N+]#[C-])C2(C(C(=COC)C1)C(C=C(C)C)O4)Oc1c3c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 489.656
CB1 binding score: -16.649
InChIKey:WYSOFAYEMUJJSI-UHFFFAOYSA-N