ID: 47755
SMILES:O1c2cc(CCCC)ccc2C2CC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -14.232
InChIKey:GDIKZOQMFGZAKO-UHFFFAOYSA-N
ID: 47756
SMILES:C(=C)(C)C1CCC(C)=CC1c1oc2c(c(O)c(O)c1Cc1c(O)cc(CCCCC)cc1O)cc2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: -14.677
InChIKey:AAUUYKGUNKLLPI-UHFFFAOYSA-N
ID: 47757
SMILES:Oc1c(O)ccc(CCc2cc(O)c3c(c2)OC(C)(C)C2C3CC(C)=CC2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.484
CB1 binding score: -17.792
InChIKey:VTSWOGULKQNJQE-UHFFFAOYSA-N
ID: 47758
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 47759
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(C(=O)OC)(C)CCC(C(C)=C)OC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.52
InChIKey:MROBPXWVEHGIGF-UHFFFAOYSA-N
ID: 47760
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1c2c(O)c(CCC(=O)C)cc1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.929
InChIKey:ADMROPNRKDZVGF-UHFFFAOYSA-N
ID: 47761
SMILES:c1(C)ccc2c(c1)-c1c(c(C(=O)OC)c(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -16.874
InChIKey:OKMUQHQXRWILEF-UHFFFAOYSA-N
ID: 47762
SMILES:C1C=C(C)CC2C1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.699
InChIKey:AGWZNRSHYXGDKF-UHFFFAOYSA-N
ID: 47763
SMILES:C(CCc1cc(OC(=O)C)cc(CC=C(C)C)c1O)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.089
InChIKey:ZYDOIKUQENZJQG-UHFFFAOYSA-N
ID: 47764
SMILES:CC(C1CCC(C)(O)C2Oc3c(c(O)cc(C)c3)C21)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.646
InChIKey:JUEQMXVOZPWLKJ-UHFFFAOYSA-N
ID: 47765
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC(C)(C)C1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.155
InChIKey:SEDBWKZCIROBKB-UHFFFAOYSA-N
ID: 47766
SMILES:c1(OC)c2c(cc(C)c1)OC1(C(C)(C)O)CC2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.564
InChIKey:HBOFJZFDDUAOLO-UHFFFAOYSA-N
ID: 47767
SMILES:CC(C1=CC2C(C)(Oc3ccc(CCCCCC)cc32)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.509
InChIKey:DWNDXXKTIIRERO-UHFFFAOYSA-N
ID: 47768
SMILES:O=Cc1c2c(cc(C(=O)O)c1CCO)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.355
InChIKey:PHQHRFOLNKRTBU-UHFFFAOYSA-N
ID: 47769
SMILES:C(c1cc2c(c(O)c1)C1CC(C(=O)O)CCC1(C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.552
InChIKey:FCULBCWMUNMKDQ-UHFFFAOYSA-N
ID: 47770
SMILES:C1C2C(C)(CCC=C(C)C)Oc3cc(CCCCC)cc(O)c3C2C(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -17.233
InChIKey:YPUYBRLGHYSHKA-UHFFFAOYSA-N
ID: 47771
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C3C1(C)C(C(C)(C)CCC3)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -14.607
InChIKey:XABQHADBYYNEJY-UHFFFAOYSA-N
ID: 47772
SMILES:O=C(c1c(CCCCC)cc2c3c1OC(C)(C)C1C2C(C(C)CC)(C=C3C)C=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.637
CB1 binding score: -15.3
InChIKey:OBABGQQRNOTAHC-UHFFFAOYSA-N
ID: 47773
SMILES:c12ccoc1-c1cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CCC(=C)C1CC(=O)C(CCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.754
CB1 binding score: -14.712
InChIKey:RCZWYMQJWVKANH-UHFFFAOYSA-N
ID: 47774
SMILES:CC1(C)CCC2(C(OC)=O)c3c(cc(CCCCC)cc3O)OC3CC21C=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.773
InChIKey:ZCMSFYFPTUJFER-UHFFFAOYSA-N
ID: 47775
SMILES:C(CCc1cc(O)c2c(c1)C13C(C(CC(=O)O)(C)CCC1)C(C=Cc1ccccc1)C2OC3)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.695
CB1 binding score: -14.276
InChIKey:IZITVULPQRHBED-UHFFFAOYSA-N