ID: 125245
SMILES:O1c2c(c(O)cc(C)c2)C(CC=C(CCC=C(C)C)C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.628
InChIKey:IMKSHQMOYUWPKB-UHFFFAOYSA-N
ID: 125246
SMILES:CC1=CC2c3c(cc(CCCCl)cc3O)OC(C)(C)C2C(OC(C)=O)C1OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.949
CB1 binding score: -14.563
InChIKey:JFXVYIDABXIAGT-UHFFFAOYSA-N
ID: 125247
SMILES:C1CC(C)=CC2C(C3(C)Oc4c(cc(O)c(C)c4)C4C(C(C)(C)O4)CC12)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.188
InChIKey:IREBXONEHRBFQY-UHFFFAOYSA-N
ID: 125248
SMILES:C1(CCCC)=CC(=O)C2=C(C1=O)OC1(C)C2(C)CCC23CC21C(=O)CC3C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.84
InChIKey:XUNMCTUFQWTISR-UHFFFAOYSA-N
ID: 125249
SMILES:c1c(O)c(C2C=C(C)CCC2C(C)=C)c(OC)cc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.99
InChIKey:JIAMDLHQCKSETM-UHFFFAOYSA-N
ID: 125250
SMILES:c1(C(CC(C)C)C(=O)OC(C)(C)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.531
InChIKey:CCAAIVXMVLPEDD-UHFFFAOYSA-N
ID: 125251
SMILES:C(C(C)(C1=CC(=O)C(=O)C2=C1OC1(C)CCC3(C1(C)CCC(C)=C3C(OC)=O)O2)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -15.717
InChIKey:UVNFAIIGGUIPQL-UHFFFAOYSA-N
ID: 125252
SMILES:C(CCc1cc(O)c2c(c1C=O)OC(C(C)(C)O)CC2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -15.418
InChIKey:SFNRWBZYDWMDBG-UHFFFAOYSA-N
ID: 125253
SMILES:c12c(C(=O)CCCCC)cc(O)c(C(C)=O)c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -12.843
InChIKey:OVCBAHQBNAVXSQ-UHFFFAOYSA-N
ID: 125254
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125255
SMILES:C12C(C)CCC1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.649
InChIKey:PZISBQNYZHUZDW-UHFFFAOYSA-N
ID: 125256
SMILES:c12c(O)cc(CCCCC)cc1OC1(C)CCC(C(C)C)=C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.612
InChIKey:AXFCYUOILSMHAR-UHFFFAOYSA-N
ID: 125257
SMILES:c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.651
InChIKey:CNNKKFRPMFHTOH-UHFFFAOYSA-N
ID: 125258
SMILES:c1c(O)c(C2C=C(C)CCC2C(C)=C)c(CCC(O)=O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.93
InChIKey:YCERQXPNQDDWMT-UHFFFAOYSA-N
ID: 125259
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -18.309
InChIKey:KQWJMEAIWXADAY-UHFFFAOYSA-N
ID: 125260
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125261
SMILES:C1(C2(C)CCC(=O)O2)CCC(O)(C)C2Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -13.633
InChIKey:BKOMHKZCXZABQJ-UHFFFAOYSA-N
ID: 125262
SMILES:C1C(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 125263
SMILES:c12c(O)c(O)cc(CC=C(C)C)c1OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.835
InChIKey:APTPYIPSKNRHDB-UHFFFAOYSA-N
ID: 125264
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 125265
SMILES:C1CCC(C)(C)C2C1(C)Oc1cc(CCCCC)cc(C(OC)=O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: Not available
InChIKey:JBJQGYPBRSLEHB-UHFFFAOYSA-N