ID: 35365
SMILES:c12c(c(OC)ccc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.928
InChIKey:VUURRTVYUHEOKH-UHFFFAOYSA-N
ID: 35366
SMILES:C12=CC(O)(CO)CCC1C(C)(C)Oc1cc(CCCCC)c(C(O)=O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -16.236
InChIKey:DOFMKRGQXTWAJO-UHFFFAOYSA-N
ID: 35367
SMILES:C(CC)CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.009
InChIKey:XKWLUCZAWFMDAL-UHFFFAOYSA-N
ID: 35368
SMILES:CC(=C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.334
InChIKey:LMTQDQLMOBKYNY-UHFFFAOYSA-N
ID: 35369
SMILES:C1(O)C2(C(C)(C)Oc3cc(C)cc(O)c32)OC2C(C)(C1)C=CC(C(C)(C)O)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -12.015
InChIKey:QIFLRWURTDJXEQ-UHFFFAOYSA-N
ID: 35370
SMILES:O(C)c1c2c(c(OC)cc1CCCCC)OC(C)(C)C1CC=C(C)C(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.996
InChIKey:VSNFIAKVAAIZLB-UHFFFAOYSA-N
ID: 35371
SMILES:O(C(O)=O)c1cc(CCCCC)ccc1C1(C)CCC=CC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.347
InChIKey:DNSDWYWLCKVKBC-UHFFFAOYSA-N
ID: 35372
SMILES:C(=O)(C1=CC2c3c(O)cc(CCCCC)cc3OC(C2)C(C)(C)C1=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.031
InChIKey:OSWSZLAQHAGJLK-UHFFFAOYSA-N
ID: 35373
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 35374
SMILES:C(C=CCC)c1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.889
InChIKey:WSLIDUUDBJYLTQ-UHFFFAOYSA-N
ID: 35375
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(=C)C1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.197
InChIKey:XHDYZSRWBSZCDL-UHFFFAOYSA-N
ID: 35376
SMILES:Oc1c2c(cc(CCCCCO)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.433
InChIKey:WRKRLMFHDYYVAX-UHFFFAOYSA-N
ID: 35377
SMILES:CC(C)=CCCC(C)=CCc1c(OS(=O)(O)=O)cc(CCCCC[N+](O)=O)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.581
CB1 binding score: -14.052
InChIKey:JBPNROJKRMBWTK-UHFFFAOYSA-O
ID: 35378
SMILES:C1C(Cc2c(O)cc(CCCCC)cc2O)C(C)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.784
InChIKey:LDYABHYBUNULIK-UHFFFAOYSA-N
ID: 35379
SMILES:C1(C)(C)Oc2c(c(O)c(C(=O)CCCCC)cc2O)C2CC3(C)C(CC21)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.974
InChIKey:DYAIWEYPUWMLAW-UHFFFAOYSA-N
ID: 35380
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -20.344
InChIKey:ZELUXPWDPVXUEI-UHFFFAOYSA-N
ID: 35381
SMILES:C1C2C(c3c(cc(CCCC)cc3O)OC2(C)C)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 35382
SMILES:C1(C)(C)C2(CC(Br)C(C)=CC2)c2c(cc(CCC)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 365.311
CB1 binding score: -16.124
InChIKey:QXIBYFIXQPGYCO-UHFFFAOYSA-N
ID: 35383
SMILES:C(C)(C)C1C(c2c(O)cc(CCCCCC)cc2OC)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: Not available
InChIKey:OENFONBPDGTKLN-UHFFFAOYSA-N
ID: 35384
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C1C(C(O)C2C(C=O)=C)C(=C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -15.277
InChIKey:QTEJTIUXIOVEDY-UHFFFAOYSA-N
ID: 35385
SMILES:C12(O)C=C(C)C(=O)C(O)=C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.941
InChIKey:RHHKUKGZRZMQRL-UHFFFAOYSA-N