ID: 53572
SMILES:C1c2c(cccc2O)C(C)N=C1C1C(C(=C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 295.426
CB1 binding score: -15.129
InChIKey:QTXLUMWQNYDPNL-UHFFFAOYSA-N
ID: 53573
SMILES:C1(C)=CC2c3c(O)cc(CO)cc3OC1(C)CCC2C(CC1C=C(C)C(=O)O1)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -17.217
InChIKey:PTSQVOBBQQTEMY-UHFFFAOYSA-N
ID: 53574
SMILES:C12(CO)C3CC(C)(C)CC3C3C(Oc4c(c(C)cc(O)c4)C3)(C(C)(C)O1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.914
InChIKey:QWZBQNZXPAMCJY-UHFFFAOYSA-N
ID: 53575
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.081
InChIKey:MHVQMOCDSPMCCW-UHFFFAOYSA-N
ID: 53576
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C1CC(O)C2(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.449
InChIKey:LLWAIXUBNICVTH-UHFFFAOYSA-N
ID: 53577
SMILES:O(C(C)=O)c1c(CCCCC)cc2c3c1OC(C)(C)C1CCC(C)(CC13)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.063
InChIKey:JMHOQFSVBNHCKY-UHFFFAOYSA-N
ID: 53578
SMILES:C1C(C)(C)CCCC1=CCCC(CCc1c(O)c(C)cc(OC(C)=O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.651
InChIKey:DYXSXVBTLFUCGY-UHFFFAOYSA-N
ID: 53579
SMILES:c1c(CC=C(C)CCC=C(C)C)c(O)c2c(c1C=O)OC(C)(C)C1C2C=C(COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.166
InChIKey:APJZSCVFPHGZCF-UHFFFAOYSA-N
ID: 53580
SMILES:O1C2C(C(=C)C)(CC1C)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.049
InChIKey:DFLMTVXPLRNNQB-UHFFFAOYSA-N
ID: 53581
SMILES:Oc1c(C(=O)C(CC)C)c2c(c(C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.579
InChIKey:QLQOBEBVMLQFNL-UHFFFAOYSA-N
ID: 53582
SMILES:Oc1cc(CCCCC)cc2c1C1(O)C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.962
InChIKey:QUOSZCUYPMDSSN-UHFFFAOYSA-N
ID: 53583
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 53584
SMILES:C1=C(C(C(O)(C)C)C2OC2C(O)(C)C)COc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -15.531
InChIKey:GTKVAGIHOQMDPV-UHFFFAOYSA-N
ID: 53585
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C(=C(C)C(=O)O3)CC1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -14.749
InChIKey:OMEKKRCCVDUZCZ-UHFFFAOYSA-N
ID: 53586
SMILES:C12c3c(cc(CCCCC)cc3O1)OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.602
InChIKey:FZDJPHRREHORIH-UHFFFAOYSA-N
ID: 53587
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 53588
SMILES:Oc1c(O)c2c(c(C=O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -14.973
InChIKey:OGGPHDZKDQJLGL-UHFFFAOYSA-N
ID: 53589
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC=C(CO)C)(C(=O)C(C)(C)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.663
InChIKey:XIPOYFDGARDCPR-UHFFFAOYSA-N
ID: 53590
SMILES:C(CCOC)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.351
InChIKey:BNNYCDMXOQBBBW-UHFFFAOYSA-N
ID: 53591
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 53592
SMILES:C1CC(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N