ID: 42400
SMILES:C(CC)(=CC(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)CC#C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: Not available
InChIKey:NMDBHDUDKNAUFE-UHFFFAOYSA-N
ID: 42401
SMILES:c1c(C(C)(C)C)cc2c(c1O)CC(C(C)(O)C)C(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.171
InChIKey:NVAMNAPREKDXQJ-UHFFFAOYSA-N
ID: 42402
SMILES:c12c(=O)cc(-c3c4c(ccc3O)OC(C(C)(C)O)C4)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.521
CB1 binding score: -15.929
InChIKey:ZBJHADTYMRZFSA-UHFFFAOYSA-N
ID: 42403
SMILES:c1(CCCCC)c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 316.485
CB1 binding score: -17.394
InChIKey:MYUUBTAELPINEG-UHFFFAOYSA-N
ID: 42404
SMILES:C1(C(C)(C)O)Oc2c(c(O)cc(CCCC)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.792
InChIKey:XSMWQVVCSSEHIK-UHFFFAOYSA-N
ID: 42405
SMILES:c1(C2C(C(C)=C)CC(O)C(C)=C2)c(CCCCC)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.953
InChIKey:RCQCDIMNMAPKTC-UHFFFAOYSA-N
ID: 42406
SMILES:Oc1cc(CCCCC)cc(O)c1C1CC(CO)=CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.293
InChIKey:VAHUUHMSLIHMFN-UHFFFAOYSA-N
ID: 42407
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.195
InChIKey:MNEAIRSCKNFLHC-UHFFFAOYSA-N
ID: 42408
SMILES:C1=C(C)C(=O)CC(C(C)C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.68
InChIKey:GSZWUDMRFBBQDQ-UHFFFAOYSA-N
ID: 42409
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 42410
SMILES:C(C(C)=CCc1c(O)c(C(OC)=O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.455
InChIKey:GWCNKHRDENNXRP-UHFFFAOYSA-N
ID: 42411
SMILES:C1(CC)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -14.032
InChIKey:IMRZZILZENXDKW-UHFFFAOYSA-N
ID: 42412
SMILES:CCCCCc1cc(OC(=O)C)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.767
InChIKey:OGCCABVUOZBTQV-UHFFFAOYSA-N
ID: 42413
SMILES:OC1C(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.085
InChIKey:VUDSKIPMWGVGSR-UHFFFAOYSA-N
ID: 42414
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42415
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(CCC=C(C)C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.371
InChIKey:JHRGGZFOOYWPHU-UHFFFAOYSA-N
ID: 42416
SMILES:c1(CCCCC)ccc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.467
InChIKey:TVERKJMGSVKUPT-UHFFFAOYSA-N
ID: 42417
SMILES:c1(O)cc2c(cc1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.748
InChIKey:UESOFUAUNDLWRH-UHFFFAOYSA-N
ID: 42418
SMILES:C(C(=O)O)C1CC(=CCC=C(C)C)CC1Cc1c(O)c(C(=O)O)c(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -12.702
InChIKey:CYFZWTVPWQLFRG-UHFFFAOYSA-N
ID: 42419
SMILES:O=C(C(=CCCC1=CC(c2c(O)cc(OC)cc2)C(C(=C)C)CC1)O)C(C=C(CO)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -15.323
InChIKey:XXIJEUVNDQAVLV-UHFFFAOYSA-N
ID: 42420
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C=C(C(=O)O)CCC13C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.69
InChIKey:MLYYGBODQOOFTG-UHFFFAOYSA-N