ID: 48112
SMILES:c1(O)cc(C)cc2c1-c1ccc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.502
InChIKey:MABGFUATJWNWEL-UHFFFAOYSA-N
ID: 48113
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.298
InChIKey:AUFIWWFRJPQJFI-UHFFFAOYSA-N
ID: 48114
SMILES:Cc1c(OC)cc2c(c1)C(C(C=CC(C)(C)O)=O)(C)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13.317
InChIKey:SXYIJNAFMGHWSW-UHFFFAOYSA-N
ID: 48115
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.439
InChIKey:XVOPFYNMQOZUKH-UHFFFAOYSA-N
ID: 48116
SMILES:c1c2c3c(c(CCC(OC(C)=O)C)c1)OC(C)(C)C1C3C(O)C=CC1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -13.935
InChIKey:JKNMUTSWMSTKKL-UHFFFAOYSA-N
ID: 48117
SMILES:c1(C)cc(O)c2c(c1CC=C(CCC=C(C)C)C)OC(C)CN2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 329.484
CB1 binding score: -10.829
InChIKey:IMYXTKFZZGVHJX-UHFFFAOYSA-N
ID: 48118
SMILES:Oc1cc(CCCCCCCC)cc2c1c1c(cc2)CCC(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.546
CB1 binding score: -14.466
InChIKey:KGSPBLHGFSYWCN-UHFFFAOYSA-N
ID: 48119
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc3O2)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: Not available
InChIKey:NDNQDBDSRDEQMH-UHFFFAOYSA-N
ID: 48120
SMILES:C(C(C)=CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 342.523
CB1 binding score: -17.298
InChIKey:BHOOTNJUQMGENE-UHFFFAOYSA-N
ID: 48121
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CC(O)C1C(=C)C(=O)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.098
InChIKey:PXATZQYLWKOGCK-UHFFFAOYSA-N
ID: 48122
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCCC)c(O)c(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.431
InChIKey:WEXJGBXHMMHZSN-UHFFFAOYSA-N
ID: 48123
SMILES:C1(C(CO)C)=CCC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.103
InChIKey:GBQGPRLLTAYJCU-UHFFFAOYSA-N
ID: 48124
SMILES:Cc1c(=O)c(CCC)cc2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.989
InChIKey:MTVHRFOXBOMKOA-UHFFFAOYSA-N
ID: 48125
SMILES:O(CC)C(c1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.857
InChIKey:STECSMKOVNBIFR-UHFFFAOYSA-N
ID: 48126
SMILES:Oc1cc(CCCCC)c(C(=O)O)c(O)c1CC=C(CCCC(C)=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.803
InChIKey:LANFBEBWSHYDBQ-UHFFFAOYSA-N
ID: 48127
SMILES:C(C)CCCc1ccc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.055
InChIKey:YNUMDHXFQAUOGS-UHFFFAOYSA-N
ID: 48128
SMILES:Oc1c(C2C=C(C)CCC2C(=C)C)c(CCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.773
InChIKey:GVVMQETWTXZBJQ-UHFFFAOYSA-N
ID: 48129
SMILES:C(=CCCC(=CCc1c(O)c(C(O)=O)cc(CCCCC)c1)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 48130
SMILES:C(CCCC)c1cc(O)c2c(c1C=O)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.225
InChIKey:PXVLUNBJEIFIAU-UHFFFAOYSA-N
ID: 48131
SMILES:c1(O)cc(CCCCC)c2c(c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.043
InChIKey:XZKFXCQNHZRBJK-UHFFFAOYSA-N
ID: 48132
SMILES:CCC[P+]1(C)CCC=C(C)CN1Cc1cc(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c1O[N+](=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.634
CB1 binding score: -16.15
InChIKey:LMSNMTLLBUVGMC-UHFFFAOYSA-P