ID: 86311
SMILES:O1C(C)(C)C=Cc2ccc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -17.825
InChIKey:WRULWNHWZUTIHL-UHFFFAOYSA-N
ID: 86312
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCC(=O)N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.456
CB1 binding score: -16.339
InChIKey:YZRKPYUWQIRAHD-UHFFFAOYSA-N
ID: 86313
SMILES:C1CC(C(C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C(OC(C)=O)CCC1(O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.655
CB1 binding score: -13.569
InChIKey:CBSMPRHSRBXAEA-UHFFFAOYSA-N
ID: 86314
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC=CCCCCCCCC)c3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -13.961
InChIKey:YCQJJRSYOHLZRY-UHFFFAOYSA-N
ID: 86315
SMILES:C(CCC)c1cc(OC)c2c(c1)OC(C)(C)c1c-2cc(C=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -16.14
InChIKey:GYSOCWJROMEZQG-UHFFFAOYSA-N
ID: 86316
SMILES:OC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.309
InChIKey:KYBSQVMEBKBMOK-UHFFFAOYSA-N
ID: 86317
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 86318
SMILES:C(CCCCC)c1c2c(c3c(c1O)CCC(CCC=C(C)C)(C)O3)c(O)ccc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.288
InChIKey:VMXUGSJEQRELQU-UHFFFAOYSA-N
ID: 86319
SMILES:Oc1cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 86320
SMILES:C1C2C(C)(C)Oc3cc(COC)c(OC)cc3C2C=C(COC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.147
InChIKey:CPLRTOISNBVVHJ-UHFFFAOYSA-N
ID: 86321
SMILES:C(CC=C(C)CCC=C(C)C)C1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 86322
SMILES:c1(O)cc(CCCCC)ccc1C1C(C(O)(C)C)CCC(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -15.633
InChIKey:UYANHGZAZPAZPP-UHFFFAOYSA-N
ID: 86323
SMILES:CC1(O)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 86324
SMILES:C1(=O)C(C(CC)CC)=C2OC(C)(C)C(C2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.328
CB1 binding score: -13.944
InChIKey:SEZHQCXKJDVGCY-UHFFFAOYSA-N
ID: 86325
SMILES:CC1(C)Oc2c(ccc(C)c2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 86326
SMILES:C(CCCCCCCCCCCCCC)Cc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.767
CB1 binding score: -9.838
InChIKey:KMRGAMMUQUTNKI-UHFFFAOYSA-N
ID: 86327
SMILES:c1(O)cc(O)c(CC=C(C)CCC=C(C)C)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 316.485
CB1 binding score: -17.394
InChIKey:MYUUBTAELPINEG-UHFFFAOYSA-N
ID: 86328
SMILES:C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.334
InChIKey:LKJNAKRLOPZHAJ-UHFFFAOYSA-N
ID: 86329
SMILES:C(=C)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C1OC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.025
InChIKey:QBQKXXLKHXCRPH-UHFFFAOYSA-N
ID: 86330
SMILES:C(CC)CCCCCCCCCCc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: -18.884
InChIKey:VQXQOKPNJXWGIV-UHFFFAOYSA-N
ID: 86331
SMILES:C12=C(C)CCC1C(C)(C)Oc1cc(CCCCC)c(O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.116
InChIKey:QGWDNRDTIFTGQO-UHFFFAOYSA-N