ID: 98092
SMILES:c1c(C(O)CC(O)C)c(O)c2c(c1C)OC(C)(C)C1CCC(O)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.663
InChIKey:KWVBIXPQCUWCPT-UHFFFAOYSA-N
ID: 98093
SMILES:c1c2c(c(CCCCC)cc1O)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.692
InChIKey:SNPCQPJTVQTRGI-UHFFFAOYSA-N
ID: 98094
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 98095
SMILES:C12(C)CC(c3c(O)cc(CCCCCO)cc3O1)(C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.067
InChIKey:FUYZDFDYAONHDG-UHFFFAOYSA-N
ID: 98096
SMILES:c1(O)c(OC)c2c(c(C=O)c1CC=C(C)C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.478
InChIKey:BRXYTYUJFFIFNR-UHFFFAOYSA-N
ID: 98097
SMILES:C(C(O)C1(C)Oc2c(c(O)cc(CCCCCC)c2)C2CC(C)=CCC12)CC(C(=O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.706
InChIKey:DSBNIGIALWXOBS-UHFFFAOYSA-N
ID: 98098
SMILES:C(OC(C)=O)C1=CC2c3c(cc(CCCCC)cc3OC(=O)C)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -17.031
InChIKey:KHSRMGBTDAZZMO-UHFFFAOYSA-N
ID: 98099
SMILES:CC1=CC(c2c(O)ccc(O)c2)C(O)C(C)(C)Oc2cc(O)c(C(=O)O)c(CCCCC)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.535
CB1 binding score: -13.031
InChIKey:FBZSRBYONRXCGM-UHFFFAOYSA-N
ID: 98100
SMILES:CC1(C)CC(c2ccc3c(c2)C(C)=CCC2=C3C=CC(=O)C(C)(C)O2)CO1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -15.351
InChIKey:XEIYKPPUYXZMIG-UHFFFAOYSA-N
ID: 98101
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.423
InChIKey:MRLLOLSGDYQJHB-UHFFFAOYSA-N
ID: 98102
SMILES:C12COc3c(cc(CCCCC)cc3O)OC1C(C)(O)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.169
InChIKey:GNBJQRMVOFERQQ-UHFFFAOYSA-N
ID: 98103
SMILES:Oc1cc2c(c(C)c1)OC(c1c(O)cc(CCCC)cc1CC=C(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -15.456
InChIKey:GISWDESEMHEGGE-UHFFFAOYSA-N
ID: 98104
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 98105
SMILES:C(CCc1cc2c(c(OC)c1)C=CC(CCC=C(C)CO)(C)O2)(C(O)C(C)=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.435
InChIKey:OTQWFMUFBRMQEZ-UHFFFAOYSA-N
ID: 98106
SMILES:C1C(C)(O)C(O)(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.929
InChIKey:RGQCSLDPXWRYNB-UHFFFAOYSA-N
ID: 98107
SMILES:Cc1c(O)c(OC(C)=O)c(C)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -19.451
InChIKey:RPGUGCBHOYLWAO-UHFFFAOYSA-N
ID: 98108
SMILES:CC1(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.718
InChIKey:GWIWPLOIMLHKST-UHFFFAOYSA-N
ID: 98109
SMILES:C(CC)Cc1c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.251
InChIKey:JNGSUCQLTUTQNJ-UHFFFAOYSA-N
ID: 98110
SMILES:C1(C)(C)C2(C3OC3c3c(cc(CCCCC)cc3O)O2)C(C)=CC(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.588
InChIKey:POHMQFCPZVWRPC-UHFFFAOYSA-N
ID: 98111
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C1C1OC2(C(O)CC1C)C3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.71
InChIKey:FMMKYLUHBPSTSV-UHFFFAOYSA-N
ID: 98112
SMILES:c1ccc(OCC2C(C)(C)Oc3cc(CCCCC)ccc32)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 394.599
CB1 binding score: -15.552
InChIKey:XCZFHDBREXWQAC-UHFFFAOYSA-N