ID: 90868
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90869
SMILES:C1=C(C)COC1c1c(CCCCC)ccc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.548
InChIKey:CBEDSLMLAXWONS-UHFFFAOYSA-N
ID: 90870
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.334
InChIKey:IVOMNWVMBRMVJJ-UHFFFAOYSA-N
ID: 90871
SMILES:C1(c2c(O)c(C(=O)C)c(O)c(CC=C(C)CCC=C(C)C)c2)C=C(C)CCC1C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.293
InChIKey:AYWDBOJIZJVVNM-UHFFFAOYSA-N
ID: 90872
SMILES:C1(C)=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: 90873
SMILES:OC(c1c(O)c2c(cc1CCCCCCCCC)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.651
InChIKey:AHAMPLSSQAIDII-UHFFFAOYSA-N
ID: 90874
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(C#C)3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -14.49
InChIKey:FFVIPVQPSHCVGA-UHFFFAOYSA-N
ID: 90875
SMILES:C=C(C1C2C(C)(CC1)Oc1c2c(O)cc(CCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.768
InChIKey:FKKVWUYKLPCXAC-UHFFFAOYSA-N
ID: 90876
SMILES:C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 90877
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 90878
SMILES:c1(CC(C)C)cc2c(c(O)c1)C1=C(CC2)C(C)(C)OC(C)(CCC=C(C)C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: Not available
InChIKey:UXBNJOTXUOTKRZ-UHFFFAOYSA-N
ID: 90879
SMILES:C(CC)Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 90880
SMILES:C1C2C(C)(C)CCCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.169
InChIKey:DNSIRXQUSBRWHQ-UHFFFAOYSA-N
ID: 90881
SMILES:C(O)C1(C)Oc2c(c(O)cc(CCCCCC[N+]=CCCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.656
CB1 binding score: -17.955
InChIKey:MJWSIIGDRVJYNY-UHFFFAOYSA-N
ID: 90882
SMILES:CC1(C)C2CCC3(C)Oc4c(c(O)cc(CCCCC)c4)CC3(O)C2CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.764
InChIKey:QRYGTWZTVAEIFQ-UHFFFAOYSA-N
ID: 90883
SMILES:O=C(OC)C1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -18.957
InChIKey:YMEKKVVHAIJDRG-UHFFFAOYSA-N
ID: 90884
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(CCC(C)=C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90885
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C(C1C(=C)C)C1C23C(O)C(=O)C3=C(O)C1C(C(O)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.6
CB1 binding score: -14.934
InChIKey:GBAGNUXTLKHTKM-UHFFFAOYSA-N
ID: 90886
SMILES:c12c(c(=O)cc(CCCCC)cc1O)OC(C)(C)C1=CCC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.15
InChIKey:XJOBQAHEMSDWCQ-UHFFFAOYSA-N
ID: 90887
SMILES:c1(CCCCCCCCCCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.659
CB1 binding score: -14.862
InChIKey:MLTWVBMKTGFUKJ-UHFFFAOYSA-N
ID: 90888
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(OC)c1C(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -13.814
InChIKey:HRVDJEJEYQJDAA-UHFFFAOYSA-N