ID: 62350
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.123
InChIKey:XTHJHHRKYPIOTH-UHFFFAOYSA-N
ID: 62351
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C2C(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.65
InChIKey:UJHQBYRGVHFMSM-UHFFFAOYSA-N
ID: 62352
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 62353
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 62354
SMILES:C(C1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.967
InChIKey:XTDYIISRNODHHT-UHFFFAOYSA-N
ID: 62355
SMILES:C12(C)C(C)CCC(C)=C1C(CC(C)C)c1c(O)cc(CCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.418
InChIKey:DXMLZQKELZWXIH-UHFFFAOYSA-N
ID: 62356
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -16.934
InChIKey:RBOFETJAAOBFKI-UHFFFAOYSA-N
ID: 62357
SMILES:C1(CCC(=O)C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.167
InChIKey:QSOGTOVBOHNCQA-UHFFFAOYSA-N
ID: 62358
SMILES:c1c(O)c2c(cc1CCCCCCCCCCCCCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.766
CB1 binding score: -17.5
InChIKey:VXRVXBRJMFQJEF-UHFFFAOYSA-N
ID: 62359
SMILES:C1(C)COC2(C)Oc3c(c(OC)cc(CCCCC)c3)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.054
InChIKey:CYTBRIIBIWUYBY-UHFFFAOYSA-N
ID: 62360
SMILES:O1c2c(c(OCC=C(C)CCC=C(C)C)cc(CCO)c2)CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.366
InChIKey:AYPLKYQYSIBWJN-UHFFFAOYSA-N
ID: 62361
SMILES:c1(CCCCC)c(O)cc2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.353
InChIKey:OUNLHELYJQXGHT-UHFFFAOYSA-N
ID: 62362
SMILES:C(CCCC)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.52
InChIKey:OLQWKGUDDADKCU-UHFFFAOYSA-N
ID: 62363
SMILES:C1C(=O)OC(C(C)=C)CCC(C)C2Oc3c(c(O)cc(C)c3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.929
InChIKey:DBKZLJUINRRADY-UHFFFAOYSA-N
ID: 62364
SMILES:CC1(C)C2(CC=C(C)C)Oc3c(c(O)cc(CCC)c3)C(C1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.162
InChIKey:XCHOUWIUULMHBU-UHFFFAOYSA-N
ID: 62365
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2OC(=O)C)C(c2ccccc2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -13.115
InChIKey:GSEBLRKIBFGCID-UHFFFAOYSA-N
ID: 62366
SMILES:O(C(=O)C)C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC(C)=O)COC)c(O)c3C2=CCC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.751
CB1 binding score: -13.581
InChIKey:KIELJBMNVDYQBH-UHFFFAOYSA-N
ID: 62367
SMILES:C(C)(C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 62368
SMILES:c1c(C(=O)O)c(CCCCC)cc2c1C1C(CCC(C(O)=O)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -18.748
InChIKey:HYJJEWFEOVNWNN-UHFFFAOYSA-N
ID: 62369
SMILES:CC1(C)C2CC(Cc3ccc(CCCCC)cc3O)=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.578
InChIKey:ZQZXRHGSWBAGMI-UHFFFAOYSA-N
ID: 62370
SMILES:OC(Cc1cc2c(c(O)c1)C1C(CC(O)C(C)(C)O1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 336.384
CB1 binding score: Not available
InChIKey:HOZIWGVGCJQPMH-UHFFFAOYSA-N