ID: 61363
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(CO)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.324
InChIKey:JIDLUJKOBQIGMW-UHFFFAOYSA-N
ID: 61364
SMILES:c1(CCCCC)cc(O)cc(CC=C(C)C)c1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 61365
SMILES:c1(C2C(O)CCC(CC(C=C(C)C)C(=CCc3ccccc3)C)C2)c(O)c(C=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.738
CB1 binding score: -16.473
InChIKey:QADNIELWIWUXKW-UHFFFAOYSA-N
ID: 61366
SMILES:C1CC2(C)OC1c1c(cc(CCCCC)cc1O)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.243
InChIKey:HTIUSBBYPNZAQN-UHFFFAOYSA-N
ID: 61367
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.862
InChIKey:XBEXLOJWPRVOCG-UHFFFAOYSA-N
ID: 61368
SMILES:C1(C)=CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 61369
SMILES:c1(O)c2c(cc(CCCCC)c1)OC1(C)CC2C(=O)C(C)(C)C1CCC=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -13.979
InChIKey:LERBDCSWYVGPNX-UHFFFAOYSA-N
ID: 61370
SMILES:c1(C)c(O)cc2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.605
InChIKey:IUGOMQWTBQSBBU-UHFFFAOYSA-N
ID: 61371
SMILES:C12CC=C(C)C(O)C1c1c(O)cc(CCCCC)cc1OC1(C)CCC(O)(C(C)C)C1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -16.502
InChIKey:ABFSJSODUNPRDS-UHFFFAOYSA-N
ID: 61372
SMILES:C(=CC=C(C)C(=O)O)C1(C)Oc2c(c(O)cc(CCCCCC)c2)C2CCC(O)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -13.944
InChIKey:PIQJGAHSDITUEB-UHFFFAOYSA-N
ID: 61373
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 61374
SMILES:C1(C)=CCC(C(=C)C)=CC1Cc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.522
InChIKey:BYKYPUITMNLAGM-UHFFFAOYSA-N
ID: 61375
SMILES:C1CC(C(C)C)C(O)C(OC(C(=CC)C)=O)C2(C)Oc3c(c(OC)cc(CCCCC)c3)C=C2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -14.334
InChIKey:QHDCXWYWBMJDNR-UHFFFAOYSA-N
ID: 61376
SMILES:C12(CCC(=O)O1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.84
InChIKey:WBCIBZJRNNIUHZ-UHFFFAOYSA-N
ID: 61377
SMILES:C(=O)(CC1(C)C2c3c(cc(CCCCC)cc3O)C=C(C)C2CC1(C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.925
InChIKey:HHTNNGNPUIDAAW-UHFFFAOYSA-N
ID: 61378
SMILES:CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 61379
SMILES:c12c(cc(CCCC(C)CO)cc1)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.204
InChIKey:BSMLCCJSKAJQQL-UHFFFAOYSA-N
ID: 61380
SMILES:c1(O)cc2c(cc1C(C)(C#CC=C(C)C)C)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -16.362
InChIKey:DQWXEIIOBIERLN-UHFFFAOYSA-N
ID: 61381
SMILES:CCCCc1c(O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.595
InChIKey:GEIWRNDRXJJSPB-UHFFFAOYSA-N
ID: 61382
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 61383
SMILES:Oc1c(C=O)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.477
InChIKey:UPGWUSFKMVYPKA-UHFFFAOYSA-N