ID: 41644
SMILES:C1(c2c(O)cc(CCCCC)cc2OC)C=C(C)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.309
InChIKey:KQWJMEAIWXADAY-UHFFFAOYSA-N
ID: 41645
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 41646
SMILES:c1cc(O)cc2c1OC(C)(CC1C=C(C)CCC1C(=C)C)c1cc(Br)c(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 469.419
CB1 binding score: -14.461
InChIKey:GPKVBMNLFYYUMR-UHFFFAOYSA-N
ID: 41647
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 41648
SMILES:C1=C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.875
InChIKey:MABLLFKQVKWWPG-UHFFFAOYSA-N
ID: 41649
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(CCCCC)c(C=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 41650
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 41651
SMILES:C12(OC(=O)C)C(C=O)C(CC=O)=CCC1C(C)(C)Oc1c(cc(CCCCC)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -15.929
InChIKey:YLHANJSETQJMTG-UHFFFAOYSA-N
ID: 41652
SMILES:C(C(CC(C)CC)O)c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -11.255
InChIKey:FSGLXIIKMTYSSJ-UHFFFAOYSA-N
ID: 41653
SMILES:C1CC(C)(O)C(O)CC(C(O)(C)C)C2C3C(C)(Oc4cc(CCCCC)cc(O)c41)C2C=C(COC(C)=O)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.729
CB1 binding score: -16.057
InChIKey:KAXOXXTVHYOTHR-UHFFFAOYSA-N
ID: 41654
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.754
InChIKey:PQWAEUHAZWHLNJ-UHFFFAOYSA-N
ID: 41655
SMILES:C1C2(C(C)(C)Oc3c(cc(C(O)=O)c(C)c3)C2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.258
InChIKey:QDZQKIRQIFSAKB-UHFFFAOYSA-N
ID: 41656
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.972
InChIKey:NPEOBQQHMWEEER-UHFFFAOYSA-N
ID: 41657
SMILES:C(O)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 41658
SMILES:C(C)(=CCOc1cc(O)cc(CCCCCCO)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.643
InChIKey:FTANOURVZUFQOJ-UHFFFAOYSA-N
ID: 41659
SMILES:C(=O)(C=C(C)C)CC(=CCOc1c(O)cc(CCCCCC)cc1OC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -11.918
InChIKey:PWWCHANCRAQOPU-UHFFFAOYSA-N
ID: 41660
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC(O)(C(=C)C)C(CCC(O)(C)C=CCC(C)(OC(C)=O)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.756
CB1 binding score: -16.502
InChIKey:LDENHVYXOVVFCP-UHFFFAOYSA-N
ID: 41661
SMILES:C1C2C(C)(CCC(=C)C(C(CO)=C)C2)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.137
InChIKey:JSKCDVCAJKSNMO-UHFFFAOYSA-N
ID: 41662
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 41663
SMILES:CC1(C)Oc2c(c(O)cc(Br)c2C(OC)=O)C2CC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 381.266
CB1 binding score: -16.609
InChIKey:TVUKJEAKHWLIQR-UHFFFAOYSA-N
ID: 41664
SMILES:c1(O)c(C(=O)OC)c(O)c2c(c1)OC(C)(C)C1C2C2Oc3cc(CCCCC)c(O)c4c3C(C2(C)CC1)C1C(C)(O4)C=CC(C(C)(OC)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 692.846
CB1 binding score: -13.88
InChIKey:UIWIZNYBCRMVJE-UHFFFAOYSA-N