ID: 96223
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C3C1(C)CCC1(O)OC(C4=C1C(=O)C(C(CC)C)=C4C)OC(C)(C)C3C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -14.729
InChIKey:BKMHRVBCQYGDGF-UHFFFAOYSA-N
ID: 96224
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 96225
SMILES:CC1=CCC2c3c(cc(CCCCC)cc3O2)OC1(CC(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.492
InChIKey:KAJDJOBXGQKLKB-UHFFFAOYSA-N
ID: 96226
SMILES:C12CCC(O)(C)C(O)C1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.502
InChIKey:DDGMFIQTBGUWTE-UHFFFAOYSA-N
ID: 96227
SMILES:c1(C(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.801
InChIKey:SJOXUXLDTWWKMZ-UHFFFAOYSA-N
ID: 96228
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)c(C=O)c(CCCCC)c2)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.98
InChIKey:HKQTWYXNIOJLSJ-UHFFFAOYSA-N
ID: 96229
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(OC)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 96230
SMILES:Oc1c(C=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.83
InChIKey:BDIMJROPJFSQCX-UHFFFAOYSA-N
ID: 96231
SMILES:C(CCC)Cc1ccc2c(c1O)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.434
InChIKey:IATYFTWPQJGACW-UHFFFAOYSA-N
ID: 96232
SMILES:c12c(cc(CCCCC)cc1O)OC(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: 96233
SMILES:c12c(c(C(CCCCCCC)OC)cc(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.362
InChIKey:VXDNGXCTVPOWOQ-UHFFFAOYSA-N
ID: 96234
SMILES:C(C)(C)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.937
InChIKey:YSCXDHPPHMMDSI-UHFFFAOYSA-N
ID: 96235
SMILES:C(CCCC(O)c1cc2c(c(O)c1)C1C(CC=C(CO)C1)C(C)(C)O2)=CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.805
InChIKey:OADYWJXGTSHXSS-UHFFFAOYSA-N
ID: 96236
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 96237
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 96238
SMILES:CC1(C)Oc2cc(C)c(O)cc2C(=O)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.284
InChIKey:BYWCTAUEGGZOCZ-UHFFFAOYSA-N
ID: 96239
SMILES:C(CCC)Cc1cc2c(c(O)c1C(OCC)=O)OC(CCC=C(C)C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: Not available
InChIKey:LEJDCTUEWLEQNJ-UHFFFAOYSA-N
ID: 96240
SMILES:COc1c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C)=C(O1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.466
InChIKey:CZRVXDTUHAMECV-UHFFFAOYSA-N
ID: 96241
SMILES:C(CC)Cc1cc2c(c(O)c1)C1C3C(C)(C2CC=C(C)C(O)O1)OC3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.992
InChIKey:WCPXWVIHGGGBDN-UHFFFAOYSA-N
ID: 96242
SMILES:COc1c(C(=O)C(C)CC)c2c(c(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.947
InChIKey:ZHIWJMITXFAVPK-UHFFFAOYSA-N
ID: 96243
SMILES:C1=C2CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC2(C)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.792
InChIKey:NOSNFNUBZAIOTE-UHFFFAOYSA-N