ID: 33559
SMILES:C1CC(=C)C(O)C2c3c(O)cc(CCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.913
InChIKey:DIIONVAEKNJFEV-UHFFFAOYSA-N
ID: 33560
SMILES:C(CCC)Cc1cc2c(c(O)c1)C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 33561
SMILES:c1(C(CCC(C)C)=O)c2c(c(O)c(-c3ccccc3)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
CB1 binding score: -16.502
InChIKey:JDVOUCFKSICWRS-UHFFFAOYSA-N
ID: 33562
SMILES:O(C)C1CC(=O)OC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -16.714
InChIKey:ZIZJSLMYJZZRIA-UHFFFAOYSA-N
ID: 33563
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(O)(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.686
InChIKey:JXLOXQRGEOZDJN-UHFFFAOYSA-N
ID: 33564
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 33565
SMILES:c1(O)c2c(cc(O)c1CC(CC=C(CCC=C(C)C)C)C)OC(C)(C)C1C2C(O)CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -11.925
InChIKey:UJJSGUPUNJXCJU-UHFFFAOYSA-N
ID: 33566
SMILES:C1C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)CC=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.657
InChIKey:QRBDTFKJMJDNQT-UHFFFAOYSA-N
ID: 33567
SMILES:CC1=CC(c2c(O)cc(CCCC)cc2)C(C(CCC=C(C)CO)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.02
InChIKey:HJAMPKROWNBKGP-UHFFFAOYSA-N
ID: 33568
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 33569
SMILES:C12(C(OC)=O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.585
InChIKey:MVRXPLSIVDAFQU-UHFFFAOYSA-N
ID: 33570
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 33571
SMILES:C1CC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -19.406
InChIKey:NGSPTBLZYWFYDV-UHFFFAOYSA-N
ID: 33572
SMILES:C(OCC)(c1c(OC(CC)=O)c2c(cc1C)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.288
InChIKey:HSCSXWZYIOIKEL-UHFFFAOYSA-N
ID: 33573
SMILES:Cc1c(Br)c(OC(C)=O)c2c(c1)OC(C)(C)C1CC=C(C)C(Cl)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 413.739
CB1 binding score: -15.655
InChIKey:TUMLTGONZNHPHP-UHFFFAOYSA-N
ID: 33574
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(C)c(O)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 33575
SMILES:O=C(c1ccccc1O)OCCc1c(CCCCC)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -15.89
InChIKey:VQDGCEOKBGXKCF-UHFFFAOYSA-N
ID: 33576
SMILES:CCCCCc1cc(O)c2c(c1O)OC1(C)C(C2)C(C)(C)C(CC(C(C)=C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -13.196
InChIKey:UFTAGIKLCBGTGG-UHFFFAOYSA-N
ID: 33577
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 33578
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 33579
SMILES:C1(C)=C(O)C(=O)C2(C)C3C(C(O)C12)Oc1c(c(O)cc(CCCCC)c1)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -18.618
InChIKey:GCHSZANCQYGJJX-UHFFFAOYSA-N