ID: 32719
SMILES:CC1(C)CCCC2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.99
InChIKey:BUERTDPBRJDURX-UHFFFAOYSA-N
ID: 32720
SMILES:C(C(C)c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -16.029
InChIKey:MFIVNFZVLLLEGC-UHFFFAOYSA-N
ID: 32721
SMILES:C(C1C2c3c(O)cc(CCCCC)cc3OC(C)(CC2)C(O)C1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.899
InChIKey:IRVCJEFNKQKYSX-UHFFFAOYSA-N
ID: 32722
SMILES:c12c(cc(C)c(OCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.737
InChIKey:ITMWENGKKFDGKL-UHFFFAOYSA-N
ID: 32723
SMILES:C(CCC(=CCc1cc(O)cc(C)c1O)C)C1=CCC(C(=C)CO)C(C)(C)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.215
InChIKey:VGYARVIMZLZFPQ-UHFFFAOYSA-N
ID: 32724
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(C)ccc3C=O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -15.88
InChIKey:GKNNFVXSTPIFSK-UHFFFAOYSA-N
ID: 32725
SMILES:Oc1c(CCCCC)c2c3c(c1O)OC1(C)CC3C(C(C)(C)O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.668
InChIKey:TVVJUTXHVXUQKD-UHFFFAOYSA-N
ID: 32726
SMILES:c1c(O)cc(CCCCC)cc1CC=C(C)CO
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -16.303
InChIKey:ZXAMXHYSBAFMTK-UHFFFAOYSA-N
ID: 32727
SMILES:C1CC(C)=CCCC2(C)Oc3cc(CCCC)cc(O)c3C(C2)C(O)(C)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.683
CB1 binding score: -13.573
InChIKey:BNNFEBRMAZFBLV-UHFFFAOYSA-N
ID: 32728
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C1)CCC2C(CCC=C(C)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.419
InChIKey:QFODWQVSUDUCST-UHFFFAOYSA-N
ID: 32729
SMILES:CCN(CC)C(C1(C)CCC(C)=CC1c1c(O)ccc(CCCCC)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.565
CB1 binding score: -15.547
InChIKey:OKPYDVLCQACPKK-UHFFFAOYSA-N
ID: 32730
SMILES:C(C=C(C)C)CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 32731
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 32732
SMILES:CCCCCc1cc2c(c(O)c1)C1C3(C2)C(=C(C)C(=O)O3)C=CC(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.445
InChIKey:LMLXCGUBTMBQAZ-UHFFFAOYSA-N
ID: 32733
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC=C(C(=O)O)C3CC132
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.748
InChIKey:XMGWXOFWBJCKGO-UHFFFAOYSA-N
ID: 32734
SMILES:C(O)C1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 32735
SMILES:C(C(=O)CC)=Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.54
InChIKey:HWLLZVDUBRTUGK-UHFFFAOYSA-N
ID: 32736
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2ccc(OCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.894
InChIKey:FSSDNYBXAJPPFN-UHFFFAOYSA-N
ID: 32737
SMILES:C12(C)Oc3c(c(O)cc(CCCC)c3)C(O)C1C(C(C)(O)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.813
InChIKey:JJSFQCDBUPBSJR-UHFFFAOYSA-N
ID: 32738
SMILES:c1(O)cc(CCCCC)c(C(=O)O)c(O)c1C1C(C(=C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 32739
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(C)OC23C1C(OC)OC3=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -13.34
InChIKey:AWHZXGXSWYGMMX-UHFFFAOYSA-N