ID: 78037
SMILES:c1(CCCC)c2c(ccc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -12.648
InChIKey:UYRXAFZPQGSBOK-UHFFFAOYSA-N
ID: 78038
SMILES:C1=C(C)CCC(C(C)C)C(c2ccc(CCCCC)cc2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.514
CB1 binding score: -18.727
InChIKey:CJGNFTVUEPITQG-UHFFFAOYSA-N
ID: 78039
SMILES:c1(C(CCl)CCCCC)cc(OC)c2c(c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.01
CB1 binding score: -14.227
InChIKey:MGPFPWBPKDFIQO-UHFFFAOYSA-N
ID: 78040
SMILES:Oc1cc(CCCCC)cc2c1-c1c(O)c(C(C)C)cc(C(C(=O)O)C)c1C1C(C2)C(C)(C)OOC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.67
CB1 binding score: -10.355
InChIKey:XACIXGRIRVEUKR-UHFFFAOYSA-N
ID: 78041
SMILES:O(c1c(C(C(C)C)CC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C1C(O)C(O)C(O)C(CO)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.636
CB1 binding score: -12.459
InChIKey:OVHAVJKVXNVUEE-UHFFFAOYSA-N
ID: 78042
SMILES:c1(CCCC)cc2c(c(O)c1C1C=C(C)CCC1C(CCC=C(C)C)C)OC(C)C(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -16.123
InChIKey:HKLGWRVMNJVSGD-UHFFFAOYSA-N
ID: 78043
SMILES:CC(C=CC=C(C)C)(O)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.735
InChIKey:UHXBAIHMAHIWRU-UHFFFAOYSA-N
ID: 78044
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 78045
SMILES:C(C)(C)CC(=O)Oc1c2c(c3c(c(C)c2)OC(C)(C)C=C3)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -13.565
InChIKey:RXDPGDOJTOHIIO-UHFFFAOYSA-N
ID: 78046
SMILES:C1C(C)C2=C(c3c(cc(CCCCC)cc3OC)OC2)C=C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 354.534
CB1 binding score: -14.677
InChIKey:GJIQQYKTPFFMHR-UHFFFAOYSA-N
ID: 78047
SMILES:C1C(Cl)C(C)(C)Oc2c(c(O)cc(CCC)c2)-c2c(c(O)cc(O)c2)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.907
CB1 binding score: -17.052
InChIKey:DBSJBAKIYGYURS-UHFFFAOYSA-N
ID: 78048
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 78049
SMILES:c1cc(CCCCC)cc2c1C1CC(CCC=C(C)C)(C)OC1(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -15.87
InChIKey:XQLIJIVBACBJOZ-UHFFFAOYSA-N
ID: 78050
SMILES:C(=O)(C)Oc1c(CCCCC)ccc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.992
InChIKey:XBWQQQJHSCBGFI-UHFFFAOYSA-N
ID: 78051
SMILES:COC(=O)c1c(CCCCC)cc2c(c1O)C1C(CC(C(=C)C)C1(C)C)CC2OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -11.182
InChIKey:IXCNDTCZPMKERY-UHFFFAOYSA-N
ID: 78052
SMILES:O1C(C)(C)Cc2c1cccc2COc1cc(CCCCC)cc(C(=O)O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -13.605
InChIKey:IVPLBDOOCJDHIT-UHFFFAOYSA-N
ID: 78053
SMILES:C12C(c3c(cc(CCCCC)cc3O)O1)C=C(C)CCC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.744
InChIKey:HTQBWFRBDNDKBF-UHFFFAOYSA-N
ID: 78054
SMILES:FCCc1cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.395
CB1 binding score: -14.817
InChIKey:JSOGHDLEOACAKU-UHFFFAOYSA-N
ID: 78055
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 78056
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.498
CB1 binding score: -16.943
InChIKey:ONZLRBIRSKIRIG-UHFFFAOYSA-N
ID: 78057
SMILES:C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N