ID: 55567
SMILES:C=C(C1Cc2c(CCCC(C)=CC(C(C(=C)C)c3cc(O)c(CC=C(C)C)c(O)c3)=O)Oc3c(c(O)cc(CCC)c3)C(O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 626.834
CB1 binding score: -14.825
InChIKey:FBBNSWVSMSKODV-UHFFFAOYSA-N
ID: 55568
SMILES:C1CC(C(=CC2=CC(O)CC(c3c(O)cc(CCCCC)cc3O)O2)C)CC=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -11.787
InChIKey:HJWPOYQUUBPTAJ-UHFFFAOYSA-N
ID: 55569
SMILES:c12c(cc(C(O)=O)c(CCCCC)c1)OC(C)(C)c1c-2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -13.712
InChIKey:LAWSKRTYZRUDTK-UHFFFAOYSA-N
ID: 55570
SMILES:C(CCCc1c(C(=O)O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C(C)(CCC=C(C(=O)O)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -15.116
InChIKey:VRLOKMRNSZRZNW-UHFFFAOYSA-N
ID: 55571
SMILES:C1CCC2(COc4cc(CCCCC)ccc42)OC1C(CCCC(O)(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -15.219
InChIKey:MXLWYOXOTQLNHC-UHFFFAOYSA-N
ID: 55572
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.334
InChIKey:NADWYTHYDAXNAO-UHFFFAOYSA-N
ID: 55573
SMILES:C1CC(C)C2C1C(C)(C)Oc1c2c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -17.502
InChIKey:NSDCNFCCAIBMRL-UHFFFAOYSA-N
ID: 55574
SMILES:C1C2C3CCC1(C)Oc1c2c(cc(CCCCC)c1)OCO3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -11.95
InChIKey:IKNVBMMHRSCQCC-UHFFFAOYSA-N
ID: 55575
SMILES:c1(CCCCCC)c(O)cc2c(c1O)CC(CC1=C(C)CC(C)(C)CCC1)OO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.006
InChIKey:SJBCGYYXRBKMJF-UHFFFAOYSA-N
ID: 55576
SMILES:CCCCCc1c(C(O)=O)cc(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 344.495
CB1 binding score: -16.739
InChIKey:VBQFGFHTLZPXMK-UHFFFAOYSA-N
ID: 55577
SMILES:O1c2c(c(O)cc(CCC)c2)C2CC(C(C)=C)CCC2(C)Oc2c1c(O)c1c(c2O)C(=O)CC(C)(O)C1=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.622
CB1 binding score: -13.051
InChIKey:HSZAFQDZZFFFNE-UHFFFAOYSA-N
ID: 55578
SMILES:C(C)CCc1cc(O)c2c(c1)OC1(CC3C(C(C)=CCC=C(C)C)CCC1(C)O3)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: Not available
InChIKey:ODCFVXQMYLJRJB-UHFFFAOYSA-N
ID: 55579
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.998
InChIKey:KAQRYDKQGRYUSV-UHFFFAOYSA-N
ID: 55580
SMILES:C(C(CC)C)(=O)Oc1cc2c(c(Cl)c1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.923
CB1 binding score: -14.635
InChIKey:GVHIRLCSMBOPAZ-UHFFFAOYSA-N
ID: 55581
SMILES:O1C23C(O)(CO1)C(C)C(c1c(O)cc(CCCCC)cc1O2)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -13.064
InChIKey:JIEQUSPVTVPFMU-UHFFFAOYSA-N
ID: 55582
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C(=O)O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.042
InChIKey:FNFYNDHHRPRLKW-UHFFFAOYSA-N
ID: 55583
SMILES:C1CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc4c3C1C2(O)C(C)C(=O)O4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.625
InChIKey:ZBUJGPBXEDUCEK-UHFFFAOYSA-N
ID: 55584
SMILES:c1(C)ccc(CCCc2ccccc2)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.541
CB1 binding score: -13.744
InChIKey:OEQXYMTUBBEYSL-UHFFFAOYSA-N
ID: 55585
SMILES:c1(C(C(=O)O)COC(C(C)C)=O)cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -17.447
InChIKey:BAHGKPJFIRGXAN-UHFFFAOYSA-N
ID: 55586
SMILES:c1c(CCCCC)cc(O)c2c1OC1(C(C(CC(C)=C)OC(=O)C)C)C2(C)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -11.855
InChIKey:PLWJAIXSMRCKLG-UHFFFAOYSA-N
ID: 55587
SMILES:c1(CCCCC)c(C(=O)O)c(O)c(CC=C(C)CCC=C(C(=O)O)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -16.995
InChIKey:XPNJKZHRKLTHCD-UHFFFAOYSA-N