ID: 97672
SMILES:c1(CC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.253
InChIKey:YQZKSASIODXUPT-UHFFFAOYSA-N
ID: 97673
SMILES:C(C)CCCc1cc(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: 97674
SMILES:C1C2C(c3c(OC)cc(CCCCC)cc3O1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.423
InChIKey:POLPBTVTDSPCQW-UHFFFAOYSA-N
ID: 97675
SMILES:C12=CC(OC)(CC1)C(C)(C)Oc1c(cccc1)C=C(C(C)=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.468
InChIKey:HAMSHXDGFKHFDC-UHFFFAOYSA-N
ID: 97676
SMILES:c1(CC=C(CCC=C(C)C)C)cc(CCC(CC)O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.689
InChIKey:RRRQJQIKDWKNCD-UHFFFAOYSA-N
ID: 97677
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)c2c3c(c1)OC(C)(C)C(O2)CC(O)C3(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.227
InChIKey:IRBXEQDGJOOSST-UHFFFAOYSA-N
ID: 97678
SMILES:C(CCC)=Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.334
InChIKey:HJRYMUQWODLWCL-UHFFFAOYSA-N
ID: 97679
SMILES:C1(c2c(O)cc(CCC)cc2O)C=C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 97680
SMILES:C1CCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.64
InChIKey:ZUCCSYPLDDBEKP-UHFFFAOYSA-N
ID: 97681
SMILES:OC1=C2c3c(cc(CCCCC)cc3O1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.292
InChIKey:QMYPUKXQBPTUOX-UHFFFAOYSA-N
ID: 97682
SMILES:C1=C(C)C(=O)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -11.903
InChIKey:LBUUJYAJICBVJP-UHFFFAOYSA-N
ID: 97683
SMILES:C1(O)CC2(C(C)(C)C(Br)(O)C(O)CC2=C)Oc2c1c(O)cc(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 427.335
CB1 binding score: Not available
InChIKey:VWWZMQAHGLNZGX-UHFFFAOYSA-N
ID: 97684
SMILES:O(c1c(C(C(C)C)=O)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.006
InChIKey:DXEOJTIQDISZFX-UHFFFAOYSA-N
ID: 97685
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: 97686
SMILES:C(O)C1(C)Oc2c(c(C)c(O)cc2)C2CC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -12.749
InChIKey:IASIRQUNGBEJAG-UHFFFAOYSA-N
ID: 97687
SMILES:c12c(c(CCCCC)cc(O)c1)OC(CCC=C(CCC=C(C)C)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.563
InChIKey:GBTOYLFAQIZRJY-UHFFFAOYSA-N
ID: 97688
SMILES:Cc1c(O)c2c(cc1)C(C)(C)Oc1c-2cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.914
InChIKey:YNCGDVZMJNBQBM-UHFFFAOYSA-N
ID: 97689
SMILES:C(Cc1cc2c(c(O)c1)C1C(CCC(CO)C1)C(C)(C)O2)CC1=CC(=O)C=C(OC)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -15.669
InChIKey:UGQKXCGBQQTEBC-UHFFFAOYSA-N
ID: 97690
SMILES:c1(C)c(OC2C(O)C(O)C(O)C(CO)O2)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -16.581
InChIKey:NIXTTZMYTDSWGU-UHFFFAOYSA-N
ID: 97691
SMILES:C1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 97692
SMILES:C1CC2(C)C(CCCC2C(C)C)C2(C)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -15.929
InChIKey:HQZCAEBNHIYRKN-UHFFFAOYSA-N