ID: 74719
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(=C)C3CC(C1O3)C(O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.177
InChIKey:RYHHICKAGNGONV-UHFFFAOYSA-N
ID: 74720
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(OC)=O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.889
InChIKey:XWXAGDRTBMDDNW-UHFFFAOYSA-N
ID: 74721
SMILES:CCCC=CC=Cc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.492
CB1 binding score: -16.236
InChIKey:VKSDMYIDPWVMLJ-UHFFFAOYSA-N
ID: 74722
SMILES:S(CC1=CC2C(CC1)C(C)(C)Oc1c2cccc1)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.428
CB1 binding score: -15.739
InChIKey:IRPYFGFWIAAXKQ-UHFFFAOYSA-N
ID: 74723
SMILES:C(c1c(CCCC)cc(O)c2c1OC1(C)C(C2CC(C)(C)O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.585
InChIKey:XNDHIZSIMQOEEJ-UHFFFAOYSA-N
ID: 74724
SMILES:CC1(C)OOCC2(O)c3cc(O)c(C)cc3OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Miscellaneous meroterpenoids
MW: 308.374
CB1 binding score: -15.235
InChIKey:BCBPNDPLEXJNQQ-UHFFFAOYSA-N
ID: 74725
SMILES:C1(C)(C)C2C(c3cc(OC(CCCCC)=O)c4c(c3C(CCC)C(C)C)C(O)CC(C)C4)C=C(O1)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.759
CB1 binding score: Not available
InChIKey:CALPBMSDIYFLFY-UHFFFAOYSA-N
ID: 74726
SMILES:C1(C)=C(CCC2(C)Oc3cc(CCCCC)cc(O)c3OC2)C2(CO)C(CCC1)C(=C(C)C)C(=O)CC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -15.66
InChIKey:UNDOEMDOLFTHAZ-UHFFFAOYSA-N
ID: 74727
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 74728
SMILES:CC(=CCc1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -17.033
InChIKey:BSESPXKNDZPLRY-UHFFFAOYSA-N
ID: 74729
SMILES:O=C(OCC)OCc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.534
InChIKey:MIRXDVZYENFJGU-UHFFFAOYSA-N
ID: 74730
SMILES:CC12c3c(cc(CCCCC)cc3O)C(O)C1CC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.085
InChIKey:UALQXGHJVMICCY-UHFFFAOYSA-N
ID: 74731
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(COC2OC(CO)C(O)C(O)C2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.636
CB1 binding score: -14.93
InChIKey:HGOFDLPAAYXEAM-UHFFFAOYSA-N
ID: 74732
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.281
InChIKey:KZTIITBECKQIPO-UHFFFAOYSA-N
ID: 74733
SMILES:CC1=C(CC(C)(C=C)c2cc(OC)c(O)c(OC)c2)OC2C1CC(CCCCC)C(CC(=CC)C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.731
CB1 binding score: -15.111
InChIKey:MTSCZBHFUYKINY-UHFFFAOYSA-N
ID: 74734
SMILES:C1(CC(C)C)c2c(O)cc(CCCCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -15.948
InChIKey:OUIAWTCSXQETFN-UHFFFAOYSA-N
ID: 74735
SMILES:Oc1c(C(C(C(C)C)=O)=O)c2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.471
InChIKey:GFDBXMWWOJVEBG-UHFFFAOYSA-N
ID: 74736
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 74737
SMILES:C(C(O)C=C(C)C)C1C(=O)CC2c3c(c(C(=O)C(CC)C)c(O)c(O)c3O)OC(C)(C)CCC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.594
CB1 binding score: -14.595
InChIKey:BJJNHLBVYZKPOD-UHFFFAOYSA-N
ID: 74738
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(OC)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.258
InChIKey:BGURMQBJDFVMNB-UHFFFAOYSA-N
ID: 74739
SMILES:CC1(C)Cc2c(c(C)c(OC)cc2CCC)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -16.52
InChIKey:WDYJCYYPJIWBLP-UHFFFAOYSA-N