ID: 96454
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 96455
SMILES:C1C(O)CC(C)=C2c3c(cc(CCCCC)c(C4C(O)C(O)C(O)C(CO)O4)c3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -17.149
InChIKey:MRZHRBOFSGHDJW-UHFFFAOYSA-N
ID: 96456
SMILES:C1C(C)=CC(c2c(O)cc(CCCCCO)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 96457
SMILES:c12c(c(O)cc(CCCCC)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 96458
SMILES:C(c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 96459
SMILES:CC(=CC1Oc2c(c(O)cc(CCC)c2)C(O)C1C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.303
InChIKey:OJOGVHRLUYALLU-UHFFFAOYSA-N
ID: 96460
SMILES:c1(O)cccc2c1c1c(o2)C2C=C(C)CCC2C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.355
CB1 binding score: -17.233
InChIKey:JIJSESVSTIHARS-UHFFFAOYSA-N
ID: 96461
SMILES:C(CCCC)c1cc2c(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: 96462
SMILES:c1(C(=O)CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.998
InChIKey:WEXWEVHYGRTMNG-UHFFFAOYSA-N
ID: 96463
SMILES:C12C(O)(C)CCC1C(C)(C)Oc1c2ccc(O)c1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.43
InChIKey:ZBGVPJQMJJLHHB-UHFFFAOYSA-N
ID: 96464
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1cc(C)c(C=C)c(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.929
InChIKey:OEWWSNRDNGBXMM-UHFFFAOYSA-N
ID: 96465
SMILES:C12c3c(cc(CCCCC)cc3OC1)OCC(C)C2=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -12.845
InChIKey:IPRKZFNPTAKLOU-UHFFFAOYSA-N
ID: 96466
SMILES:O=C1c2c(O)cc(C)cc2OC(C)(C)C2CC(O)C(C)(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -12.147
InChIKey:UVMICURMYWLWPL-UHFFFAOYSA-N
ID: 96467
SMILES:c1c(C(C)C)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.72
InChIKey:MRWXCLDGBJQAHZ-UHFFFAOYSA-N
ID: 96468
SMILES:CC(=CCCC(C)=CCc1c(O)cc(CCCCCC)c2c1OC(C(C)(O)C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -17.722
InChIKey:LHHRCVVECWKYMI-UHFFFAOYSA-N
ID: 96469
SMILES:C(CCCCCCCCCCCCCCC)CCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.82
CB1 binding score: -17.083
InChIKey:HYFMDXPESIMUMX-UHFFFAOYSA-N
ID: 96470
SMILES:Oc1c(C(C=CC)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.111
InChIKey:XTJVCCPAWCUBEL-UHFFFAOYSA-N
ID: 96471
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 96472
SMILES:COc1cc(-c2c(OC(C(C)C)=O)cc(C)cc2)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.819
InChIKey:UWSXFAQSRLYTLT-UHFFFAOYSA-N
ID: 96473
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)c(C=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 96474
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)CCC(C)C(CCC=C(C)C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -15.316
InChIKey:ZCJHUTVNIBQSHC-UHFFFAOYSA-N