ID: 44857
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(O2)C(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.646
InChIKey:GICKFPGMSKUABL-UHFFFAOYSA-N
ID: 44858
SMILES:C(CCCc1cc(O)c(CC=C(C)C)c(O)c1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 44859
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 44860
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)OC1C(O)CC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.945
InChIKey:SBLLXGMBRXUWHS-UHFFFAOYSA-N
ID: 44861
SMILES:O=C1CC(C)C2(C)C(CC3=C(C(=O)C=C(COCCCC)C3=O)O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.621
InChIKey:LPFZWIPNYFDGTG-UHFFFAOYSA-N
ID: 44862
SMILES:CC1(C)OC1CCC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.247
InChIKey:JHTVNVIWLKCIEG-UHFFFAOYSA-N
ID: 44863
SMILES:N(CC(COc1c(C(=O)OCC)c(CCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1)C#CC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 495.704
CB1 binding score: Not available
InChIKey:IWWQEDFXVFJARZ-UHFFFAOYSA-N
ID: 44864
SMILES:OC1c2cccc3c2C(CCC3(C)C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.407
InChIKey:YSPWRWZALRFSMQ-UHFFFAOYSA-N
ID: 44865
SMILES:C1(C)=CC(c2cc(CCCCC)ccc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.247
InChIKey:IJXLDZIYGDHKBA-UHFFFAOYSA-N
ID: 44866
SMILES:C12C(C)CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C1OC23C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.144
InChIKey:DRUYESQIVREZSQ-UHFFFAOYSA-N
ID: 44867
SMILES:c1(CCCC(C(=O)O)C)c(C)cc2c(c1O)OC(C)(C)C1CCC(C(OC)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -12.849
InChIKey:ZCGIFKYQNYOPTB-UHFFFAOYSA-N
ID: 44868
SMILES:C(=C)(C)C1=CC(C(C)=C)CC(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.308
InChIKey:IIEHWHABBYRHJY-UHFFFAOYSA-N
ID: 44869
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 44870
SMILES:C(CCCC)CCC(C)C1=C(O)C2(C(C)CC1=O)OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.515
CB1 binding score: -15.707
InChIKey:YKMNOKQZMQDQKC-UHFFFAOYSA-N
ID: 44871
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.389
InChIKey:UHEDSPPIFUFKCL-UHFFFAOYSA-N
ID: 44872
SMILES:c1(O)c(C(C=CC=CC(C)=CC(CC)C)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.637
CB1 binding score: -13.769
InChIKey:SJMSEUMNYNUNLG-UHFFFAOYSA-N
ID: 44873
SMILES:COc1cc(CCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.546
InChIKey:BKDVCSXBNXBCEJ-UHFFFAOYSA-N
ID: 44874
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.231
InChIKey:JDFZIGWVOWGBAS-UHFFFAOYSA-N
ID: 44875
SMILES:c1(C)c(CCN)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -13.386
InChIKey:NKKBATDEOZZDPU-UHFFFAOYSA-N
ID: 44876
SMILES:c12c(cc(C)cc1)-c1c(S(=O)(O)=O)cc(CCCCC)cc1OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.556
CB1 binding score: -17.451
InChIKey:LPJGXDHLZMMRBZ-UHFFFAOYSA-N
ID: 44877
SMILES:c1(CC=C)cc(C2C=C(C)CCC2C(=C)C)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.482
CB1 binding score: -13.72
InChIKey:ROKVRLIIMKUSDW-UHFFFAOYSA-N