ID: 40699
SMILES:C1C2c3c(O)cc(CCCCC)cc3OC1(C)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 40700
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C1(C)OC(C(C)(O)C)CC1)CC(O)(C)C(OC(C)=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -14.296
InChIKey:ILGPHBYRVXLFBG-UHFFFAOYSA-N
ID: 40701
SMILES:C1CC2(C(NCCO)=O)c3c(cc(CCCCC)cc3O)CC(C2(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 373.537
CB1 binding score: -14.461
InChIKey:LWRFEGHTNIBSJG-UHFFFAOYSA-N
ID: 40702
SMILES:C(O)C1OC(Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2CC(O)C4(C)C(O4)CC32)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.635
CB1 binding score: -15.403
InChIKey:CAZHDXIKOPIMOF-UHFFFAOYSA-N
ID: 40703
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.996
InChIKey:YOJXVRSBFALZPJ-UHFFFAOYSA-N
ID: 40704
SMILES:CCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(C#C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -14.2
InChIKey:WEXKZHNHRDLWSE-UHFFFAOYSA-N
ID: 40705
SMILES:C(C(OC1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c31)=CC)(C)(O)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -15.882
InChIKey:FFLKKHMKUHNKFZ-UHFFFAOYSA-N
ID: 40706
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(CCCC(C)=CCC3(C)C(C)(O2)CCC(C(C)=C)O3)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.814
CB1 binding score: -13.842
InChIKey:PKCYPWQAXSLYQG-UHFFFAOYSA-N
ID: 40707
SMILES:C1(C)CCCC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCCO)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -13.109
InChIKey:AJIIXUFVWJIEPB-UHFFFAOYSA-N
ID: 40708
SMILES:c1(C)ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 40709
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 40710
SMILES:c1(O)c(CC=C(CCC=C(CC)C)C)cc(O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.545
InChIKey:ZEZZPXAGNBATNY-UHFFFAOYSA-N
ID: 40711
SMILES:C(CCCCC)C(=O)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(CCCCC)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.657
CB1 binding score: -16.74
InChIKey:NXCIUNKNDMJTCL-UHFFFAOYSA-N
ID: 40712
SMILES:C1=CC(C)(C)C(CCC2(C)Oc3cc(CCCCO)cc(O)c3CC2C)=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.305
InChIKey:HFYHNBLFFFFGNJ-UHFFFAOYSA-N
ID: 40713
SMILES:C1CC2C(C=C1C)c1c(c(O)ccc1O)CC2(C)C#CCc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.481
CB1 binding score: -16.903
InChIKey:SZYLDGUHTAZGBF-UHFFFAOYSA-N
ID: 40714
SMILES:CCC(=O)c1c(CCCCC)cc2c(c1O)C1CC(C)(O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.111
InChIKey:DUIPOBJCOKWYOB-UHFFFAOYSA-N
ID: 40715
SMILES:C12CC1(C)CC1C(C(C)(C)Oc3cc(C)cc(O)c31)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.88
InChIKey:SYRFHWDRLOWLDL-UHFFFAOYSA-N
ID: 40716
SMILES:CC(C(O)C(c1c2c(c(O)c(-c3ccccc3)c1)C1C=C(C)CCC1C(C)(C)O2)=O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.505
CB1 binding score: -16.315
InChIKey:YLPHNFYDDVIAIO-UHFFFAOYSA-N
ID: 40717
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 40718
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.465
InChIKey:AOBBUCVIQGWYKD-UHFFFAOYSA-N
ID: 40719
SMILES:C(CCCc1cc(O)c(CC=C(C)CCC=C(C(=O)O)CCC=C(C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -12.448
InChIKey:QPLRTGBUJNRFAO-UHFFFAOYSA-N