ID: 69238
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -17.454
InChIKey:JOIGAAUCVYUZTJ-UHFFFAOYSA-N
ID: 69239
SMILES:O(c1cc(C(=O)O)cc(O)c1C1C(C(C)=C)CCC(C)=C1)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -18.144
InChIKey:NNTLTGSQLHVIRH-UHFFFAOYSA-N
ID: 69240
SMILES:c1(C=O)c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.26
InChIKey:GQEOUNUXVQZIQP-UHFFFAOYSA-N
ID: 69241
SMILES:C1(O)CC2(C(CCC=C(C)C)C)CC1(C)Oc1c2c(O)cc(CCCCC[N+](C)(C)CC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.707
CB1 binding score: -16.74
InChIKey:AKRUXUKQARFBPV-UHFFFAOYSA-O
ID: 69242
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(C=O)=CC2)CC(OC)(CC(C)(C)O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -10.251
InChIKey:LPFDKVDXXUVCMX-UHFFFAOYSA-N
ID: 69243
SMILES:CC1CC(Cc2c(O)cc(CCCCC)cc2O)C2C(C)(O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -13.483
InChIKey:ZRULDGUBFDZVBW-UHFFFAOYSA-N
ID: 69244
SMILES:Oc1c(CC=C(C)C)cc(O)cc1CC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 69245
SMILES:C(=O)(Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC21)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.475
InChIKey:ALWOTENRXNVJGX-UHFFFAOYSA-N
ID: 69246
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1C(C(=O)OCC)(C)CCCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -12.793
InChIKey:GWXFQKIPLGSQLD-UHFFFAOYSA-N
ID: 69247
SMILES:C1(C(C)CO)(O)C(c2c(OC)ccc(CCCCC)c2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.502
InChIKey:ABSDMZGLABVMOH-UHFFFAOYSA-N
ID: 69248
SMILES:CC1(CCC=C(C)C)C2C3C(C)(CCC12)Oc1c(c(O)cc(CCCCC)c1)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.076
InChIKey:QXKLBYMNNGMORU-UHFFFAOYSA-N
ID: 69249
SMILES:C1(O)CCC(C)=CC1c1c(O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.107
InChIKey:FWFCZMGPXXDQPC-UHFFFAOYSA-N
ID: 69250
SMILES:C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 342.523
CB1 binding score: -18.105
InChIKey:APNLZBJARSTBFQ-UHFFFAOYSA-N
ID: 69251
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)C(O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -15.77
InChIKey:GTKYYVYYPXAQLJ-UHFFFAOYSA-N
ID: 69252
SMILES:C(CC1(C)Oc2c(c(O)c(C(C(O)C)=O)c(CCCCC)c2)C=C1)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.394
InChIKey:LWVYVHROAROHIK-UHFFFAOYSA-N
ID: 69253
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 69254
SMILES:c1(CC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.192
InChIKey:KJCJQSKIITVFME-UHFFFAOYSA-N
ID: 69255
SMILES:c12c(cc(CCCCC)cc1O)C1C(C(O)(C)C)(C2)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.949
InChIKey:ULBNYYFDNRSZRF-UHFFFAOYSA-N
ID: 69256
SMILES:C1=C2C(CC=C1)C(C)(C)Oc1cc(O)cc(CC)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -15.082
InChIKey:KFOHCSSDBUVHHI-UHFFFAOYSA-N
ID: 69257
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 69258
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N