ID: 83035
SMILES:CC1CC(O)C2C3(CN(C(OC)=O)C=C2C)OC2c4c(O)cc(CCCCC)cc4OC(C)(C)C3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 499.648
CB1 binding score: -15.739
InChIKey:DTZDGSOVSKWNDU-UHFFFAOYSA-N
ID: 83036
SMILES:c1(CCCCC)cc2c(c(O)c1CC=C(CCC=C(C)C)C)OC(C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.532
InChIKey:MLTPLENVFUSADG-UHFFFAOYSA-N
ID: 83037
SMILES:CC12Oc3c(c(OC(=O)C)cc(CCCCC)c3)C(O)(C)C1CC(C(C)=C)C(OC(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.29
InChIKey:JERWGVVBCUXXFO-UHFFFAOYSA-N
ID: 83038
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(=O)O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 83039
SMILES:O=C1OC(CC2C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2(C)CC3OC(=O)C(=C)C3CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -14.317
InChIKey:VPQNWONOQMRLHK-UHFFFAOYSA-N
ID: 83040
SMILES:O(CCOc1c2c(cc(OC)c1OC)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.311
InChIKey:MSCAQNFATPFRNM-UHFFFAOYSA-N
ID: 83041
SMILES:C1CCC2(C)Oc3c(c(O)cc(CCC)c3)C2C1C(CCC=C(C)C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.253
InChIKey:RYOUYOGPZWRBJB-UHFFFAOYSA-N
ID: 83042
SMILES:c1(OC(=O)C)c2c(c(C=O)c(O)c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -14.588
InChIKey:JDXJPLASCTWCDQ-UHFFFAOYSA-N
ID: 83043
SMILES:C(CCC)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(CC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.342
InChIKey:CDKMNHRZLVUAGF-UHFFFAOYSA-N
ID: 83044
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.479
InChIKey:LBIQTJYHOQJYJR-UHFFFAOYSA-N
ID: 83045
SMILES:C1(O)CC(=C)CC2C1C(C)(C)Oc1c2c(O)c(C(CCCCCC)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.758
InChIKey:MJBHRPDYNOCGIO-UHFFFAOYSA-N
ID: 83046
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC2C(O)(C)C(=O)c3cc2c(cc3)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -14.207
InChIKey:DHXATVWIVMTRBA-UHFFFAOYSA-N
ID: 83047
SMILES:C1(C)=CC(c2ccc(C(OC)=O)cc2O)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.365
InChIKey:WIWAFAIVJYRCPO-UHFFFAOYSA-N
ID: 83048
SMILES:C1=CC2C(OC(C)=O)C(C(C)C)CCC2(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.346
InChIKey:JWOZKXSRSHUTQM-UHFFFAOYSA-N
ID: 83049
SMILES:O=C(CC(C)C)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.396
InChIKey:SGDIUOOWEIOVFH-UHFFFAOYSA-N
ID: 83050
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 83051
SMILES:CC(CC=C(COCC)C(C)=C)=CC(CC(=CCc1c(O)c(C)cc(O)c1)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.111
InChIKey:QSQOSAZUVBAPQQ-UHFFFAOYSA-N
ID: 83052
SMILES:C(=CCC1C(=O)CC(C(CC)C)c2c(O)cc(O)cc21)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.537
InChIKey:KYOAGUPCWTXUPY-UHFFFAOYSA-N
ID: 83053
SMILES:C(=CCc1ccccc1)CCc1cc(O)c2c(c1)OC(C)(C)C1C2(C)CCC(O)(C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14.625
InChIKey:GHAQCPDAAAENHF-UHFFFAOYSA-N
ID: 83054
SMILES:C(Cc1cc2c(c(O)c1C)OC(C)(C)C1CCC(C)=CC12)C=CC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: Not available
InChIKey:WDKKXKDKGDBQCU-UHFFFAOYSA-N
ID: 83055
SMILES:OC(C1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -17.183
InChIKey:AREGKQBLOXHIRP-UHFFFAOYSA-N