ID: 58591
SMILES:C12c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C1CCC2(OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.46
InChIKey:LQHLWTSSEDTREA-UHFFFAOYSA-N
ID: 58592
SMILES:CC1(C)CC(O)C(=O)C2(C)Oc3c(c(O)cc(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.729
InChIKey:RMZOBUQIGVTNNW-UHFFFAOYSA-N
ID: 58593
SMILES:OC12C(=O)C=C(C)CCC=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.461
InChIKey:AKVUEFVRHKOGPY-UHFFFAOYSA-N
ID: 58594
SMILES:C(O)(CCCC)c1cc(O)c2c(c1)OC1(C)CCC3C(C(CCC=C(C)C)(C)O)(O3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -12.707
InChIKey:JNDFDJXVCFKZFU-UHFFFAOYSA-N
ID: 58595
SMILES:C1C2C3CC1(C)Oc1c(c(O)cc(CCCCC)c12)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.661
InChIKey:RRTMAAZMVAWHPI-UHFFFAOYSA-N
ID: 58596
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CC3(C)C(CC1)C3(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.175
InChIKey:CADCUNUOVFGRGK-UHFFFAOYSA-N
ID: 58597
SMILES:C(C1=CC2C(CC1)C(C)(C)Oc1cc(C)cc(O)c12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.214
InChIKey:ASRCITNWYBEUHX-UHFFFAOYSA-N
ID: 58598
SMILES:C(CC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 58599
SMILES:O=C(C)Oc1cc2c(cc1)OC(C)(C)C1(O)CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.424
InChIKey:OAHZVHRPXVPWPO-UHFFFAOYSA-N
ID: 58600
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58601
SMILES:C1C(C)(C)Cc2cc3c(c(CCC)c(C=O)c(O)c3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.216
InChIKey:KTVBPLYWKLOYJA-UHFFFAOYSA-N
ID: 58602
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2(C)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.838
InChIKey:HFSYWATYBCLFTE-UHFFFAOYSA-N
ID: 58603
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CC(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 58604
SMILES:C1C(O)C(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.467
InChIKey:KSAFPPBVVHMLQY-UHFFFAOYSA-N
ID: 58605
SMILES:CC1(C)C2Cc3c(cc(CCCCC)cc3O)C2C(C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.948
InChIKey:VESRGHUBFKZAJH-UHFFFAOYSA-N
ID: 58606
SMILES:CC1=CCC(C)(C)C=CCC2(C)Oc3cc(O)c(=O)cc(CCCCC)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -11.464
InChIKey:BTBABQWJQIMKRN-UHFFFAOYSA-N
ID: 58607
SMILES:C(C)#Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: Not available
InChIKey:RBHQHQFXWVVTPP-UHFFFAOYSA-N
ID: 58608
SMILES:C(=Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -17.617
InChIKey:WIUODDHQGNYBGI-UHFFFAOYSA-N
ID: 58609
SMILES:C(=C)(C1(C)CCC(C)=CC1c1c(O)ccc(CC)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -18.267
InChIKey:HHONECZPXIHMHW-UHFFFAOYSA-N
ID: 58610
SMILES:C(CCCC)Cc1c2c3c(c(C(O)=O)c1O)OC1(C(=C)C)C(C(C)(C)C(O1)CC3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.845
InChIKey:YSKWTVRRLKTYDP-UHFFFAOYSA-N
ID: 58611
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC1=C2)O)(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: Not available
InChIKey:ZJNFZWBKEVNECV-UHFFFAOYSA-N