ID: 70582
SMILES:CC(C)=CCCC(CCc1c(O)cc(CCCCC)cc1O)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 334.5
CB1 binding score: -18.081
InChIKey:VZYFLVVFTDNVRX-UHFFFAOYSA-N
ID: 70583
SMILES:Oc1c2c(c(CCCCC)cc1O)OC(CCC1(C)C(C)=CCCC1C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.627
InChIKey:KJLINIHYRCCUPR-UHFFFAOYSA-N
ID: 70584
SMILES:C(CC1Oc2c(cc(O)cc2C)CC1C(C)=C)C(C(C)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.702
InChIKey:SZKGGIAMODLMOL-UHFFFAOYSA-N
ID: 70585
SMILES:O=C(C(C)CC)Oc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)(O)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.288
InChIKey:WREVJNJGFOQGPQ-UHFFFAOYSA-N
ID: 70586
SMILES:Oc1c(OC)c(CCCC(O)C)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -12.769
InChIKey:DFAWOTKHHWDDAC-UHFFFAOYSA-N
ID: 70587
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 70588
SMILES:C12C(C)(CC=CC(O)(C)C)Oc3c(c(O)cc(CCCCC)c3)C1(C)CC(O)C2C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.716
InChIKey:HBZRBZZMMHRJNN-UHFFFAOYSA-N
ID: 70589
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(CCC)=O)c(O)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -11.745
InChIKey:ZYDPGSLTGUPLMQ-UHFFFAOYSA-N
ID: 70590
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C3C2(CC1c1ccco1)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -13.509
InChIKey:LQNUWQRQKSEALV-UHFFFAOYSA-N
ID: 70591
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 70592
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)c1c(C(=O)OC)coc1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -14.041
InChIKey:FTZCUPQHMLJVFX-UHFFFAOYSA-N
ID: 70593
SMILES:c1(C)c(CCC)ccc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -12.979
InChIKey:LQKZSRLNHMRAIH-UHFFFAOYSA-N
ID: 70594
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.44
InChIKey:UVYKSDULJIRXDK-UHFFFAOYSA-N
ID: 70595
SMILES:C1=C(C)C(=O)CC(C(C)CCC=C(C)C)C1c1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -16.115
InChIKey:CMBWXSOAAIEQHH-UHFFFAOYSA-N
ID: 70596
SMILES:CC1C(=O)OC23Oc4c(c(O)cc(CCC)c4)C4(C)C(C2CC1(C)C)CCC34COC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.494
InChIKey:YAQGVAMCYIMWKU-UHFFFAOYSA-N
ID: 70597
SMILES:Oc1c(O)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.985
InChIKey:MYRUYLQSQBCOMO-UHFFFAOYSA-N
ID: 70598
SMILES:O=C(Oc1c(CC=C(CCC=C(C)C)C)cc(O)cc1C)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.306
InChIKey:KHWKCIQHTUODLG-UHFFFAOYSA-N
ID: 70599
SMILES:OC(Cc1cc(OC)c2c(c1C)OC(C)(C)C1=C2C(O)C(O)(C)CC1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.951
InChIKey:ILKNGATWVRKOON-UHFFFAOYSA-N
ID: 70600
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 70601
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 70602
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1c(=O)c(O)cc(C(C)OC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -14.256
InChIKey:SAYXIFYGXAULAA-UHFFFAOYSA-N