ID: 113317
SMILES:O(c1c(CC=C(C)C)c(O)cc(CCCCC)c1)C1C=C(C)CC(O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.325
InChIKey:IQAGHTSUDCKDND-UHFFFAOYSA-N
ID: 113318
SMILES:C1(C)=CC(c2c(O)cc(O)cc2-c2cc(O)c(O)cc2)C(C(=CC=CC(C)(OOC(C)=O)C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.584
CB1 binding score: -14.019
InChIKey:CKXQSXIQGHOCKW-UHFFFAOYSA-N
ID: 113319
SMILES:C12=CCC(C)(Oc3cc(CCCCCC)cc(O)c31)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.526
InChIKey:NXOYPYAPSDRGRJ-UHFFFAOYSA-N
ID: 113320
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -19.572
InChIKey:KKASRYPDNSSAPZ-UHFFFAOYSA-N
ID: 113321
SMILES:C1C=C(C)CCCC(C)C(c2c(O)cc(CC=C(C)C)c(O)c2)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.077
InChIKey:DPMXTTMTHVJRRW-UHFFFAOYSA-N
ID: 113322
SMILES:O1c2c(c(O)cc(CCCCC)c2)CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -18.796
InChIKey:BFFUWWHIAIGFJU-UHFFFAOYSA-N
ID: 113323
SMILES:Oc1c(C)cc(O)cc1CC1(C)Oc2c(C)cc(O)c(CC=C(C)CCC=C(C)C)c2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 450.619
CB1 binding score: -16.496
InChIKey:HJSJMOJLMSOGED-UHFFFAOYSA-N
ID: 113324
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.989
InChIKey:ZTZGBEZKXBIYDU-UHFFFAOYSA-N
ID: 113325
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(=C(C)C)C(CC(C)C1=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.769
InChIKey:DRAAKGLPVOCWCI-UHFFFAOYSA-N
ID: 113326
SMILES:CC1(O)C2(O)CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.685
InChIKey:NWSPQKKHFKKQOD-UHFFFAOYSA-N
ID: 113327
SMILES:O(O)Cc1ccc(OC)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.528
InChIKey:ZASBIRUCAWQPBB-UHFFFAOYSA-N
ID: 113328
SMILES:c1(O)c(O)c(C)cc(OC)c1C1C(C(C)=CCC=C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.56
InChIKey:ZHDIEYXXBMIZQC-UHFFFAOYSA-N
ID: 113329
SMILES:C1(C)(C)Oc2cc(C)cc(O)c2C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.944
InChIKey:GITSDXGASNCATJ-UHFFFAOYSA-N
ID: 113330
SMILES:C(CCC(=CCc1c(O)cc(CCC(O)=O)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 318.413
CB1 binding score: -18.016
InChIKey:OVJKPQKAIHSVBC-UHFFFAOYSA-N
ID: 113331
SMILES:C12OC13Cc1ccc(CCCCCC)cc1OC3(C)CCC1C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.747
InChIKey:VXXGSYKWQDYKMK-UHFFFAOYSA-N
ID: 113332
SMILES:C1(O)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.01
InChIKey:ORBYQSUBJJLLKT-UHFFFAOYSA-N
ID: 113333
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113334
SMILES:CC(C)C1C23CCC(C)(O)C2CCC(O)(Oc2cc(CCCCC)cc(O)c23)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -9.599
InChIKey:KYXITEADKNELRL-UHFFFAOYSA-N
ID: 113335
SMILES:C(CC(C)C)C1=C(C)CC2c3c(cc(CCC(OC)=O)cc3O)OC(C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.434
InChIKey:PRBHBTVIFYXZBU-UHFFFAOYSA-N
ID: 113336
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C=C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.028
InChIKey:KIFZHNQESZKPAZ-UHFFFAOYSA-N
ID: 113337
SMILES:C1CC(C2CCC(C)=CC2)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.827
InChIKey:AJQHWXARUUUFGD-UHFFFAOYSA-N