ID: 77323
SMILES:C12(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.007
InChIKey:FXSXHYVMKQBBKA-UHFFFAOYSA-N
ID: 77324
SMILES:C(CC=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)(OCC)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.019
InChIKey:WSRALGVFOSHKBW-UHFFFAOYSA-N
ID: 77325
SMILES:OC(CC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C=C1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.368
CB1 binding score: -16.203
InChIKey:VMNWRPKXXSLOMJ-UHFFFAOYSA-N
ID: 77326
SMILES:c1(O)c2c(c(C(C(CC)C)=O)c(O)c1C=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -18.795
InChIKey:OTDNGRYIMUPGQU-UHFFFAOYSA-N
ID: 77327
SMILES:c1c(C(c2c(O)cc(CCCCC)cc2O)OC)c(C=O)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 496.644
CB1 binding score: -14.254
InChIKey:YXFDGNIPGOBBKX-UHFFFAOYSA-N
ID: 77328
SMILES:CC1(O)C(C)(C)C2CCC(C)(Oc3cc(CCCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -17.334
InChIKey:AUVYOQXAHFAUCT-UHFFFAOYSA-N
ID: 77329
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 302.458
CB1 binding score: -17.684
InChIKey:SQNFBZBGPYOMLU-UHFFFAOYSA-N
ID: 77330
SMILES:OC=C(C1CCC(C)=CC1c1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -18.394
InChIKey:RTKUZLMKCFSEHI-UHFFFAOYSA-N
ID: 77331
SMILES:Oc1cc(C(O)C2=C3OC(C)(C)C(CCC3C)CC2)cc(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -14.605
InChIKey:VLPBKGSMLXUKCC-UHFFFAOYSA-N
ID: 77332
SMILES:C(C)C(=O)c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.739
InChIKey:BKAPZASUPWOLSZ-UHFFFAOYSA-N
ID: 77333
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1(O)CCC(=C)C(O)CC1(C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.109
InChIKey:MABTYNTUNACRJV-UHFFFAOYSA-N
ID: 77334
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 77335
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)c(C(=O)COC(=O)C)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.37
InChIKey:KTBKQXORIXKELV-UHFFFAOYSA-N
ID: 77336
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -13.842
InChIKey:BPOUHLLDBDAPMT-UHFFFAOYSA-N
ID: 77337
SMILES:S1C2CC3C(O)(C)CCC(C(C)=C)C3c3c(O)cc(C)cc3OC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.519
CB1 binding score: -15.241
InChIKey:MHDRALPWQAQQPH-UHFFFAOYSA-N
ID: 77338
SMILES:C(O)(C(C1OC1)C1OC2OC3(O)C(OC(=O)C3)C3C2c2c(cc(CCCCC)cc2O)OC31)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.478
CB1 binding score: Not available
InChIKey:CFSOKKOSAZUBAF-UHFFFAOYSA-N
ID: 77339
SMILES:O1c2c(c(O)cc(CCCCC)c2)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -18.095
InChIKey:MZFRHHAYDPKZKL-UHFFFAOYSA-N
ID: 77340
SMILES:C1C(C(C)C)C=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C=C2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -18.743
InChIKey:LYPCHHJXNTWJFU-UHFFFAOYSA-N
ID: 77341
SMILES:c1(CCCCC)cc2c(c(O)c1C(=O)O)CC1C=C(C)C3C(C(C)(C)CCC3)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -12.226
InChIKey:MVSVVHFRTSZNRL-UHFFFAOYSA-N
ID: 77342
SMILES:O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 77343
SMILES:OC(C)(CCc1c(O)cc(O)c(C2(C)CCC3C2(C)CCC(O)C(C)(C)O3)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -13.166
InChIKey:OKCQNFSJSIQWRZ-UHFFFAOYSA-N