ID: 89755
SMILES:O1c2c(c(O)c(C(=O)O)c(CCCCC)c2)C2CC(C(CO)C)CCC12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.255
InChIKey:HURGBMXPWLGBRZ-UHFFFAOYSA-N
ID: 89756
SMILES:C12C(CC=C(C)C1O)C(C)(C)Oc1c2c(O)c(Br)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.256
CB1 binding score: -16.078
InChIKey:MHKJHNXZHRVTAP-UHFFFAOYSA-N
ID: 89757
SMILES:c1(COC2OC(CO)C(O)C(O)C2O)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -17.174
InChIKey:ZIQLPVNSOHKEKN-UHFFFAOYSA-N
ID: 89758
SMILES:c1(OC(C)=O)c(O)c2c(cc1C)OC(CCC=C(C)CC1OCC(C)C1CO)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -17.982
InChIKey:JKHSVOFKDMGHJL-UHFFFAOYSA-N
ID: 89759
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 89760
SMILES:Oc1c(C(C(C)C)=O)c(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -17.575
InChIKey:RHRYLWAFKSVENB-UHFFFAOYSA-N
ID: 89761
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 89762
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1O)OC1(C)CC2C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.981
InChIKey:XVBNHHFUNCZFJD-UHFFFAOYSA-N
ID: 89763
SMILES:c1c(C)cc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.213
InChIKey:ABQUTLCPMMOSHA-UHFFFAOYSA-N
ID: 89764
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89765
SMILES:C1(C=CC=C(C)C)(C)Oc2c(c(O)cc(CCCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.101
InChIKey:HFJFMZYBWXDYSK-UHFFFAOYSA-N
ID: 89766
SMILES:CC1(C)C(Br)C(=O)CC2(c3c(O)cc(CCCCC)cc31)C1CCC(C)=CC1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 461.44
CB1 binding score: -14.025
InChIKey:HIYHYFRDHPHBAV-UHFFFAOYSA-N
ID: 89767
SMILES:C1C(=O)CC(O)(C)C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.306
InChIKey:OQVUSBJXYQZYCC-UHFFFAOYSA-N
ID: 89768
SMILES:C(Cc1cc(O)c(C2C=C(C)C(O)CC2C(O)(C)C)c(OC)c1)(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.411
CB1 binding score: -15.553
InChIKey:UIKVOFAKRWLPQT-UHFFFAOYSA-N
ID: 89769
SMILES:C1(OC(=O)c2ccccc2)CC(O)C2(C)C(O)C(OC(=O)C)C3C(C)(C)Oc4cc(CCCC)cc(O)c4C3C2C1(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.717
CB1 binding score: -15.686
InChIKey:DQUSYCYRNZPCNQ-UHFFFAOYSA-N
ID: 89770
SMILES:C1(Br)C(C)(C)C2C(=O)C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.283
CB1 binding score: -15.586
InChIKey:GGGNVPITAVWPMZ-UHFFFAOYSA-N
ID: 89771
SMILES:C1(C)=CC2C(O)(CC1)C(C)=CC(=CC(C)C)c1ccc(CCCCC)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.573
CB1 binding score: -15.049
InChIKey:XQPXUNWWPSXXDO-UHFFFAOYSA-N
ID: 89772
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC2C(C)(O1)CC=C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.078
InChIKey:YFPWAEAVKZKRBT-UHFFFAOYSA-N
ID: 89773
SMILES:C1C(C)=CCC2(O)C(CC(=C)CC1)c1c(O)cc(CCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.945
InChIKey:PWRQNHDKNHGDBC-UHFFFAOYSA-N
ID: 89774
SMILES:CC1(C)C2=C(c3c(O)cc(CCCCC)cc31)OC(C)(C)C1C2CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -12.66
InChIKey:VOGADDSYBFMSGU-UHFFFAOYSA-N
ID: 89775
SMILES:C1=CC(=C)C(C(CC(C)=CCc2c(O)c(C)cc(O)c2)O)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.052
InChIKey:QNXNQLSYFOFDHC-UHFFFAOYSA-N