ID: 83098
SMILES:C(CC1=CC2C3C(C(C)C)CCC2(C)Oc2cc(CCCCCO)cc(O)c2C3(O)C1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -11.899
InChIKey:QCOBMJXTCYJNQE-UHFFFAOYSA-N
ID: 83099
SMILES:c1(C=O)c(-c2c(O)c(O)ccc2)ccc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.441
CB1 binding score: -15.929
InChIKey:KDSJJNDKUFUEGO-UHFFFAOYSA-N
ID: 83100
SMILES:c12cc(CCC=O)cc(O)c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.371
InChIKey:IXNAYOXHUHNOKU-UHFFFAOYSA-N
ID: 83101
SMILES:C1CC(O)(C)C2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.679
InChIKey:PLONCQVTGGBUST-UHFFFAOYSA-N
ID: 83102
SMILES:C1(=C)CCCC2(C)CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.433
InChIKey:HOXVWILMNXSIGF-UHFFFAOYSA-N
ID: 83103
SMILES:C(CCCC)c1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)C3C1=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -13.052
InChIKey:KTEMQRWWABEYPO-UHFFFAOYSA-N
ID: 83104
SMILES:C(C1OC(=O)C=C1C)c1c(CCCCC)cc(O)c2c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.883
InChIKey:JQGQOGCUSSBQQL-UHFFFAOYSA-N
ID: 83105
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.57
InChIKey:LURPWARMGYBTPS-UHFFFAOYSA-N
ID: 83106
SMILES:C1(c2c(O)cc(C(C)(O)CCCCC)cc2O)C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.476
InChIKey:UVJAGYWLRNLSCK-UHFFFAOYSA-N
ID: 83107
SMILES:c12ccc(C)cc1C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.816
InChIKey:CBLWBJJVZQLACD-UHFFFAOYSA-N
ID: 83108
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.007
InChIKey:OZJGPFIIAJIJQC-UHFFFAOYSA-N
ID: 83109
SMILES:C1(O)(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.424
InChIKey:GEZKCMQFUNYGRS-UHFFFAOYSA-N
ID: 83110
SMILES:C1C2(c3c(cc(CCCCC)cc3O)O1)C(=O)OCC2(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -15.226
InChIKey:IFASLFGQPHQOAL-UHFFFAOYSA-N
ID: 83111
SMILES:c12cc(CCCCC)cc(OC(=O)C)c1C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.89
InChIKey:KWTKNFBCIBUYEX-UHFFFAOYSA-N
ID: 83112
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -14.547
InChIKey:IVPZBIPGJCBKHA-UHFFFAOYSA-N
ID: 83113
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 83114
SMILES:OC1(C)C(Br)CCC(C)(c2c(O)cc(CCCCC)cc2O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.325
CB1 binding score: -14.52
InChIKey:NSQMPOAITFSJFB-UHFFFAOYSA-N
ID: 83115
SMILES:O1c2c(c(O)c(C(=O)OC)c(CCCCC)c2)C2CC(C)(OCC)C3C(O)CC(C)C132
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.727
InChIKey:LBFJITJBMYPNEZ-UHFFFAOYSA-N
ID: 83116
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2(O)OC(C)(C)C=C1)=C(C)CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -11.609
InChIKey:ZGFCHZHYAJCKLM-UHFFFAOYSA-N
ID: 83117
SMILES:c12c(O)cc(CCCCC)cc1OC(C(C)(O)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.942
InChIKey:PRKDRANYBPHDBW-UHFFFAOYSA-N
ID: 83118
SMILES:C1C(C)=CC2c3c(cc(CCCCC)c(O)c31)OC2(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -12.995
InChIKey:GOOGOCOKOUGCDV-UHFFFAOYSA-N