ID: 57436
SMILES:C1C(O)C2(C)Oc3c(c(O)cc(CCCCCCC)c3)C2C2OC(=O)C(=C)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.552
InChIKey:MKFNRHRNVUTAQR-UHFFFAOYSA-N
ID: 57437
SMILES:C1(=C)C2CC(c3c(O)cc(CCCCC)cc3O)C(C)=CC2C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 382.588
CB1 binding score: -12.701
InChIKey:MHKKYDPPZYFRIC-UHFFFAOYSA-N
ID: 57438
SMILES:C1(C)=CC(c2c(O)ccc(CCCCC)c2)C(C(CCC=C(C)C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.591
InChIKey:QPTVTJCMQJKJEN-UHFFFAOYSA-N
ID: 57439
SMILES:Oc1c2c(cc(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 57440
SMILES:C12=CC(=O)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.266
InChIKey:KWVVHJXZVFZYPC-UHFFFAOYSA-N
ID: 57441
SMILES:c1(C)c(O)c(C)c(C=C)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.848
InChIKey:NXMUFYMMDOFXGD-UHFFFAOYSA-N
ID: 57442
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(CO)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -16.428
InChIKey:GSGXBQKTBMVZDE-UHFFFAOYSA-N
ID: 57443
SMILES:C12C3(C(=C)CCCC1(C)C)C(c1c(O)cc(CCCCC)cc1O3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.463
InChIKey:OXVCCEACNLJYRQ-UHFFFAOYSA-N
ID: 57444
SMILES:C123c4c(cc(CCCCC)cc4O)OC(C)(CCC1)CCC3C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.592
InChIKey:DLKCIEAJUOJEPP-UHFFFAOYSA-N
ID: 57445
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 57446
SMILES:O(c1cc2c(cc1CC)OC(CCC=C(C)C)(C)C(O)C2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.577
InChIKey:OCFSIKLUPWPAHV-UHFFFAOYSA-N
ID: 57447
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 57448
SMILES:C=C(C1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.02
InChIKey:IRFZAUZTHAYWCH-UHFFFAOYSA-N
ID: 57449
SMILES:C1(O)c2c(ccc(C)c2CCCC2=CCOC2=O)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.057
InChIKey:YIQIHKVYEWHGAP-UHFFFAOYSA-N
ID: 57450
SMILES:C(CCCCCc1cc2c(c(O)c1)C1(O)C(CC=C(C)C1)C2=O)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.649
InChIKey:UJJNMUVMZANDLL-UHFFFAOYSA-N
ID: 57451
SMILES:CC(CCC=C(C)C)CCCC(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 57452
SMILES:C1=C(C(C)C)CCC(CC=CCc2cc(OC(=O)C)cc(C)c2O)(CO)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.297
InChIKey:FSFWCMWXTYFMJW-UHFFFAOYSA-N
ID: 57453
SMILES:Oc1c(C=O)c(CCCO)cc2c1C1C(CCC(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.588
InChIKey:KOLXOIWOBKPPNM-UHFFFAOYSA-N
ID: 57454
SMILES:c1(CCCCCC)cc2c(c(O)c1C(O)=O)CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.078
InChIKey:NADRZYIVZFOKJY-UHFFFAOYSA-N
ID: 57455
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 57456
SMILES:O1c2c(c3c(c(O)c2CCCCC)OC(C)(C)C2C3C=C(C)C(OO)C2O)CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.509
InChIKey:CJEKRBNWQWTIGQ-UHFFFAOYSA-N