ID: 112246
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC1C2(C)C=CC(=O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.519
InChIKey:SXFYYGNKYRMUTK-UHFFFAOYSA-N
ID: 112247
SMILES:C(CC=C)Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(O)C3(C)CCC1C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.718
InChIKey:KIJAUVMYNMATSK-UHFFFAOYSA-N
ID: 112248
SMILES:c1(CCC=O)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.892
InChIKey:YCSIDAUWCFLSQK-UHFFFAOYSA-N
ID: 112249
SMILES:c1(OC)c(CC=C(C)C)c(C)c(Br)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 419.403
CB1 binding score: -14.959
InChIKey:MJYZJOZBFZBAQL-UHFFFAOYSA-N
ID: 112250
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(=O)C(C)(C)C(OC(C)=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.202
InChIKey:YHGIJZNGYJKQIC-UHFFFAOYSA-N
ID: 112251
SMILES:CC(C(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C)c1)O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.37
InChIKey:VEBGUWPZYKAHOA-UHFFFAOYSA-N
ID: 112252
SMILES:C1(=O)c2cc(C)ccc2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -16.615
InChIKey:GNYDDYAATAGGQG-UHFFFAOYSA-N
ID: 112253
SMILES:c12c(cc(CCCCC)cc1O)OC1(C)C(C2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.583
InChIKey:BPCSQTQTIGSQEK-UHFFFAOYSA-N
ID: 112254
SMILES:C(C)(CC(=O)CC1(C)C2CCC(C)(C(OC(=O)C)c3cc(CCCCC)cc(O)c32)OC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -13.838
InChIKey:XOVQZHXUPHJTLM-UHFFFAOYSA-N
ID: 112255
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CC=C(CO)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.778
InChIKey:UQPUAGROCZMHSP-UHFFFAOYSA-N
ID: 112256
SMILES:CC(=O)OC1CC(C(C)(C)O)OC(C)(CCC2(C)Oc3c(Br)c(O)cc(C)c3C=C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 497.426
CB1 binding score: -13.401
InChIKey:NONRYIZDLJIOJM-UHFFFAOYSA-N
ID: 112257
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112258
SMILES:c1(COC(c2ccccc2)=O)c(C2C=C(C)CCC2C(=C)CO)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -12.074
InChIKey:HQXZSOKTUBIIAG-UHFFFAOYSA-N
ID: 112259
SMILES:CC(=O)OC(C(C1Oc2c(c(O)cc(CCCCC)c2)C(C)(C=C)C1)C)C(CC)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -17.261
InChIKey:YMQRLRCOJZMOKE-UHFFFAOYSA-N
ID: 112260
SMILES:C1(C)(O)C2Oc3cc(C)cc(O)c3C2C=C(CCCC(C)=C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -12.209
InChIKey:MFRYDXJJZZKNRW-UHFFFAOYSA-N
ID: 112261
SMILES:O(C)c1c(OC)c(O)cc(C(c2c(O)c(C3C=C(C)CCC3C(C)=C)c(O)c(OC)c2)CC)c1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -15.116
InChIKey:WTQIDVDLNJUVIG-UHFFFAOYSA-N
ID: 112262
SMILES:CC(C=C)c1c(O)c(C(=O)CC(C)C)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.409
InChIKey:MDYQWQRZDSHJMR-UHFFFAOYSA-N
ID: 112263
SMILES:Oc1cc(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 112264
SMILES:C(C1(C)CCC(C(C)=CC(c2c(O)cc(CCC)cc2O)=O)CC1)(C)(CCC(O)=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -13.974
InChIKey:NRYIYCPMUCYYBT-UHFFFAOYSA-N
ID: 112265
SMILES:CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.919
InChIKey:DJWDPAFDAAGMNO-UHFFFAOYSA-N
ID: 112266
SMILES:c1(C)c(CC=C(C)C)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -13.629
InChIKey:IHDCUGUBDXVASW-UHFFFAOYSA-N