ID: 112351
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C=C(C)CC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -15.374
InChIKey:JBLQBZZMVZFKRJ-UHFFFAOYSA-N
ID: 112352
SMILES:C(CC(C1CCC(COC(C)=O)=CC1c1c(O)cc(C(OC)=O)cc1OC(C)=O)=C)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 458.551
CB1 binding score: -13.458
InChIKey:AEHZTLLYIVNLTO-UHFFFAOYSA-N
ID: 112353
SMILES:C12=C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N
ID: 112354
SMILES:C1CC(C(C)=C)C(c2cc(CCCCC)ccc2OC)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -18.084
InChIKey:GYWDFTHNGINNKN-UHFFFAOYSA-N
ID: 112355
SMILES:C1(=O)C2(O)C(C(C)(C)O)CCC2(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.295
InChIKey:JZHSMOBMGGGBDM-UHFFFAOYSA-N
ID: 112356
SMILES:CC(C)C(O)C(OC1C2c3c(c(O)cc(CCCCC)c3)C3C(O)(C(O)C12)C1(O)C(OC)C=C(O)C13)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.647
CB1 binding score: -15.045
InChIKey:DAKOPHVNCATNHT-UHFFFAOYSA-N
ID: 112357
SMILES:CC1(C)Oc2ccc(CCCC)cc2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.516
InChIKey:CYMMOBHFKGEXRH-UHFFFAOYSA-N
ID: 112358
SMILES:O1C2C(C(c3c(O)c(C)cc(OC)c3)C(=O)O2)CCC1(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.625
InChIKey:VFWOSBALDXZNES-UHFFFAOYSA-N
ID: 112359
SMILES:O=C(c1c(C=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.903
InChIKey:MUXBTQDPYNXOCE-UHFFFAOYSA-N
ID: 112360
SMILES:C(CCC1(C)Oc2c(cc(O)cc2C)CC1Br)(C(O)(C)C)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.314
CB1 binding score: -16.943
InChIKey:RQYLIMDBJIGWQU-UHFFFAOYSA-N
ID: 112361
SMILES:C1(C(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.712
InChIKey:SBLQFIJJHXJVBQ-UHFFFAOYSA-N
ID: 112362
SMILES:C1(C(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 112363
SMILES:CC1(C)C2c3c(cc(CCCCCCCC)cc3O1)CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.619
InChIKey:PSMCGOQZNRMZTJ-UHFFFAOYSA-N
ID: 112364
SMILES:c1(CC2CCC(C(C)=C)CC2)c(O)c(C(=O)O)c(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.767
InChIKey:HNTOMYIQSGKBTI-UHFFFAOYSA-N
ID: 112365
SMILES:CC1=C2CC(C(C)=C)CCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.439
InChIKey:ZNHPVECQESEPIU-UHFFFAOYSA-N
ID: 112366
SMILES:C(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 112367
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(CO)C(=O)C(C=C(C)C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.012
InChIKey:GWOCXUOJRVKODR-UHFFFAOYSA-N
ID: 112368
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c(O)c1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.779
InChIKey:IPQSYTZZHONGEG-UHFFFAOYSA-N
ID: 112369
SMILES:c1c(C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 112370
SMILES:OC(CCc1cc2c(c(O)c1)C1CC(C(=C)C)CCC1(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.709
InChIKey:GFNRDFRHHSBHOJ-UHFFFAOYSA-N
ID: 112371
SMILES:c1(O)cc(CCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N