ID: 62833
SMILES:C1(C(O)(C)COC(=O)C)C(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C2C(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -12.753
InChIKey:UUJQZPYVGFAAPI-UHFFFAOYSA-N
ID: 62834
SMILES:C1(=O)C2=C(CCC1O)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.017
InChIKey:YAQJHEKHHOEJDC-UHFFFAOYSA-N
ID: 62835
SMILES:c1c(CC=C)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 62836
SMILES:c1(CCCCC)c(O)c2c(c3c1OC(C)(C)C=C3)OC(CO)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.297
InChIKey:UAPMDSZATXOBFI-UHFFFAOYSA-N
ID: 62837
SMILES:c1(OC)c(C2C=C(C)C(O)CC2=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.29
InChIKey:IUTRNOPNKWBAQG-UHFFFAOYSA-N
ID: 62838
SMILES:C1(C)=CCCC(C)=CC2C(=CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.43
InChIKey:PBVKLYLDSNLRCC-UHFFFAOYSA-N
ID: 62839
SMILES:Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.07
InChIKey:GCUUDNKQYZJKJG-UHFFFAOYSA-N
ID: 62840
SMILES:O=Cc1c(O)c2c(cc1CCCCCC)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.097
InChIKey:VEWQHZBHFABZST-UHFFFAOYSA-N
ID: 62841
SMILES:c1(O)c(C(=O)OC)c(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -17.837
InChIKey:WXUIBYPBAKIMIT-UHFFFAOYSA-N
ID: 62842
SMILES:C12(C)OC1C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.791
InChIKey:VSQGBNUBIDZRPJ-UHFFFAOYSA-N
ID: 62843
SMILES:C1CC2(C)OC(C)(C)C1CC2=Cc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.211
InChIKey:CWMMQLKIOOCBON-UHFFFAOYSA-N
ID: 62844
SMILES:C(OC)C1=C(C)C(c2c(O)cc(CCCCC)cc2)CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -11.797
InChIKey:NQFNVVRPKCDNSL-UHFFFAOYSA-N
ID: 62845
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C=C(CO)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.778
InChIKey:XZZRIGWRTMXFNI-UHFFFAOYSA-N
ID: 62846
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)OC(=O)C1=CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -17.669
InChIKey:DQXKGLRQCRMSGQ-UHFFFAOYSA-N
ID: 62847
SMILES:C1CCCC12c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.357
InChIKey:PEQYMWNSTRXPIO-UHFFFAOYSA-N
ID: 62848
SMILES:C(c1c2c(cc(O)c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.763
InChIKey:OMUWRUKONNMYKD-UHFFFAOYSA-N
ID: 62849
SMILES:Oc1c(C=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.767
InChIKey:NVZOPKWQGYETGZ-UHFFFAOYSA-N
ID: 62850
SMILES:c12c(c(=O)cc(CCCCCO)cc1O)OC(C)(C)C1C2CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.573
InChIKey:FQXZCVQVBLNMMQ-UHFFFAOYSA-N
ID: 62851
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 62852
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(Cl)c(OC)cc3O)C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.924
CB1 binding score: -15.347
InChIKey:AHPWBQHJNWZRDS-UHFFFAOYSA-N
ID: 62853
SMILES:C12C(=C)CCC1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.78
InChIKey:NROBKQHQUVSAAS-UHFFFAOYSA-N