ID: 97105
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.988
InChIKey:SOJHVNJFTZELFD-UHFFFAOYSA-N
ID: 97106
SMILES:C1(C)CCC=C1Cc1cc2c(cc1)C1C(C(C)(C)O2)CC2=C(C)C(=O)C(O)=CC2(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
CB1 binding score: -13.703
InChIKey:BKUXGCUIWIRJHM-UHFFFAOYSA-N
ID: 97107
SMILES:C1C(Br)C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C2C(C)=CC(=O)CC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 489.494
CB1 binding score: -16.193
InChIKey:CQJLBMXOQICWKK-UHFFFAOYSA-N
ID: 97108
SMILES:C(CCCC(CO)(C)OC(=O)C)(=O)c1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -15.657
InChIKey:ILEWEHFFFRXTIG-UHFFFAOYSA-N
ID: 97109
SMILES:C12(OC)CCC(C)=CC1c1c(O)cc(CCCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.86
InChIKey:FBBKCAKOVJZRPG-UHFFFAOYSA-N
ID: 97110
SMILES:c1(CCCCC)c2c(cc(O)c1C1CC(=C)CCC1C(=C)C)SS2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.588
CB1 binding score: -12.625
InChIKey:GOFNQGYTRUNJII-UHFFFAOYSA-N
ID: 97111
SMILES:C12(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.434
InChIKey:SUIYHRSVQMWRDX-UHFFFAOYSA-N
ID: 97112
SMILES:C1CC(CCCC(C=C)C)(C)Oc2c1c(O)cc(C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.539
InChIKey:JTLOQNJEYJWINX-UHFFFAOYSA-N
ID: 97113
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 97114
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)C(O)CC2C(C)C)c(CC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.463
InChIKey:OJIXUOSJSJTRFM-UHFFFAOYSA-N
ID: 97115
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)o1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -15.661
InChIKey:ALNUTRVEGYRJJV-UHFFFAOYSA-N
ID: 97116
SMILES:c1(C)c(CCCCC)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.744
InChIKey:CPSWJQVBQGBGNM-UHFFFAOYSA-N
ID: 97117
SMILES:c12c(cc(C)cc1O)OC(C)(C)c1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 240.302
CB1 binding score: -18.341
InChIKey:HDTNPKHDRZGWQJ-UHFFFAOYSA-N
ID: 97118
SMILES:C1(c2cc(CCN(C)C)ccc2OC)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 97119
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.007
InChIKey:KDNNPXMACKUHBU-UHFFFAOYSA-N
ID: 97120
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)C1C2=CC(=O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.855
InChIKey:WUKUFSWAJZYZFG-UHFFFAOYSA-N
ID: 97121
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C(OC(C)=O)C=C(CCC(=C)C)C(C)(O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -12.14
InChIKey:PAXIFEIYXINMQY-UHFFFAOYSA-N
ID: 97122
SMILES:C1C(C)(C)CCC2c3c(cc(CCCCC)cc3O)OCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -13.427
InChIKey:NAWRPXXHTUICCX-UHFFFAOYSA-N
ID: 97123
SMILES:c12c3c(c(O)c(O)c1C(C(C)C)=O)OC(C)(C)C1C3C(C(C)(C)O2)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.782
InChIKey:UIIQVYASHMUDHL-UHFFFAOYSA-N
ID: 97124
SMILES:C1(O)C(C(=O)OC)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.334
InChIKey:MWXQWXBSBFQXFG-UHFFFAOYSA-N
ID: 97125
SMILES:C1C2C(C)(CC3C1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.318
InChIKey:PSODDCRTTVZHGP-UHFFFAOYSA-N