ID: 50569
SMILES:C1(C)=CCC(C(=C)C)C(c2c(O)cc(CCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 50570
SMILES:c1(O)c(C=O)c(CCCCC)cc2c1C1CC(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -11.855
InChIKey:PWLHGPCQSFDSNH-UHFFFAOYSA-N
ID: 50571
SMILES:C1CC(C)=CC1c1c(OC)cc(CCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -15.367
InChIKey:WOCIWTQQSVQGDO-UHFFFAOYSA-N
ID: 50572
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(CC=C(C(=O)O)CO)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -16.124
InChIKey:KUTNIWOCJLTCHE-UHFFFAOYSA-N
ID: 50573
SMILES:CC1=CC(c2c(OC)ccc(CC[N+](C)(O)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 50574
SMILES:C12C3(C)C(OC(=O)C)(CC1c1c(cc(CCCCC)cc1O)O2)C(C)CC3O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.3
InChIKey:URNIUWMEVMYXIL-UHFFFAOYSA-N
ID: 50575
SMILES:C1(=CC(CC)(C=CCC(C)=CCc2c(O)c(C)cc(OC)c2)C)OC(C)(C)C(=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.434
InChIKey:IOBWGCLFTONBEA-UHFFFAOYSA-N
ID: 50576
SMILES:Oc1c(C(=O)OCCc2ccccc2)c(O)c2c(c1)OC(C)(C)C1CCC(CC=CC(C)C)(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -15.578
InChIKey:HFLKRSPVVTXJPQ-UHFFFAOYSA-N
ID: 50577
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)c3c2C(C1)C1C(C)(CCC1C(=C)C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.765
InChIKey:AZOQVLRODJBYST-UHFFFAOYSA-N
ID: 50578
SMILES:O(c1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.172
InChIKey:ZLMHDSKDPRIBDQ-UHFFFAOYSA-N
ID: 50579
SMILES:OC(Cc1cc2c(cc1OC)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.069
InChIKey:GDODBFORMMFIKO-UHFFFAOYSA-N
ID: 50580
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 50581
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 50582
SMILES:CC1CC2c3c(cccc3C)OC3OC(C)(C(C)C13)CCc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 354.534
CB1 binding score: -15.929
InChIKey:GIJIGTRFDHLAGP-UHFFFAOYSA-N
ID: 50583
SMILES:C(Cc1c(O)c2c(c(CO)c1O)OC(C)(C)C1C2C=C(C(=O)OC)CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.552
InChIKey:HLYMMCBAWJSOAM-UHFFFAOYSA-N
ID: 50584
SMILES:c1(O)c2c(c(O)c(CC=C(CCC=C(C)CO)CO)c1)OC(C)(C)C1CC=C(CCC=C(C)C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -16.418
InChIKey:AJNAZPQLKBHEOX-UHFFFAOYSA-N
ID: 50585
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1(O)C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.481
CB1 binding score: -15.638
InChIKey:NVJHKSABZOJQNO-UHFFFAOYSA-N
ID: 50586
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50587
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.12
InChIKey:GUTOLRQYVMPCGJ-UHFFFAOYSA-N
ID: 50588
SMILES:c1(O)c2c(c(O)cc1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.145
InChIKey:YJSPCCRFFZMYHY-UHFFFAOYSA-N
ID: 50589
SMILES:CC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N