ID: 21337
SMILES:O1c2cc(CCCCCC)cc(O)c2C2C(CCC(C)(O)C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.427
InChIKey:UTXVBEHMQGNODO-UHFFFAOYSA-N
ID: 21338
SMILES:C1(O)C23C(C45C(C(OC4=O)(Oc4cc(CCCCCC)cc(O)c54)C2)C(C)(C)C1)OC(=O)C(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -13.12
InChIKey:AFCSYWBRQOEWFV-UHFFFAOYSA-N
ID: 21339
SMILES:C12C(O)C(O)C(O)C(C)OC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.481
CB1 binding score: -15.526
InChIKey:DXALTYBLFTZPKV-UHFFFAOYSA-N
ID: 21340
SMILES:C1(OC)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.337
InChIKey:IHZSDYDLIKRSCG-UHFFFAOYSA-N
ID: 21341
SMILES:c1(C(C(O)C(C)CC)C)cc(O)c2c(c1)OC(CO)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -12.764
InChIKey:YTCYYWUZVJNNIZ-UHFFFAOYSA-N
ID: 21342
SMILES:C(=C)C(C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -17.842
InChIKey:JWWOHJWTBKNLSZ-UHFFFAOYSA-N
ID: 21343
SMILES:C(c1c(O)c(CC=C(C)CCC=C(C)C)c2c3c1C(c1c(c(O)cc(O)c1)C2)OC(C)(C)C1C3C=C(C)CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 570.814
CB1 binding score: -15.82
InChIKey:AUQYDKLSMHFDCT-UHFFFAOYSA-N
ID: 21344
SMILES:CC(CC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.312
InChIKey:PYEFWGUQQGIFFB-UHFFFAOYSA-N
ID: 21345
SMILES:c1c(CCCCC)c(Oc2cc(O)cc(C)c2)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Diphenyl ethers (DPEs)
Class: Cannabinoids;Fungal DPEs
MW: 438.608
CB1 binding score: -16.971
InChIKey:CLFVQCWLSGTNRN-UHFFFAOYSA-N
ID: 21346
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 21347
SMILES:C1(COC(C)=O)(C)C2C(C)(C[CH]C1)Oc1c(c(O)cc(CCCCCO)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.512
CB1 binding score: -15.275
InChIKey:ZOFGCFGMISIRLU-UHFFFAOYSA-N
ID: 21348
SMILES:o1c(CCCCC)cc2c1C1C(CCC(COC(=O)C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.288
InChIKey:JQDYLAWMSQOTBE-UHFFFAOYSA-N
ID: 21349
SMILES:O(C)c1cc(CCCCC)cc2c1-c1ccc(C)cc1C(CC(OC1C(C)(C)O1)=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -14.112
InChIKey:ORSRHKNULLDIFE-UHFFFAOYSA-N
ID: 21350
SMILES:C12C(C(CC(=CCc3c(O)c(C)cc(OC)c3)C)OC1=O)C(C(C)=C)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -17.113
InChIKey:JEBQYFHBTAHRSK-UHFFFAOYSA-N
ID: 21351
SMILES:CC1(C)Oc2cc(OC)c(O)c(-c3c(O)cccc3)c2OC2(C)CC=CC(C)(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -12.802
InChIKey:SWTHGMICMUQVHL-UHFFFAOYSA-N
ID: 21352
SMILES:O(C(=O)C)Cc1c(OC)ccc(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.15
InChIKey:KBFHTOKICVYXMD-UHFFFAOYSA-N
ID: 21353
SMILES:C(C(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.346
InChIKey:POPBLMRNLSTLOC-UHFFFAOYSA-N
ID: 21354
SMILES:C12C(C)(Oc3c(c(O)cc(CCCCC)c3)C1O)C(=O)C(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.656
InChIKey:DEEOUBVDQQKXHH-UHFFFAOYSA-N
ID: 21355
SMILES:c12c(ccc(CCCCC)c1)C1C(C(C)(CCC=C(C)C)O2)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -15.074
InChIKey:PNKLSHFTHSNEDD-UHFFFAOYSA-N
ID: 21356
SMILES:C1CC(C(C)C)C(c2c(OC)ccc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.104
InChIKey:KCNKFEKQAPWBKX-UHFFFAOYSA-N
ID: 21357
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CN=C(NCCCCN=C(N)N)CN
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.635
CB1 binding score: -14.638
InChIKey:JASHOCHJYXHNDV-UHFFFAOYSA-N