ID: 98029
SMILES:Oc1c(C=O)c(CCCCC)cc2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.167
InChIKey:KBNVSVXIQKFQOA-UHFFFAOYSA-N
ID: 98030
SMILES:C1=Cc2cc(O)c(C3C=C(C)CCC3C(=C)C)c(OC)c2OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.016
InChIKey:UIQQZCAURNBFDW-UHFFFAOYSA-N
ID: 98031
SMILES:c1(O)c2c(cc(CCCCC)c1C(=O)O)OC(C)(C)C1=C2C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.879
InChIKey:IQSUUAADFMYBGJ-UHFFFAOYSA-N
ID: 98032
SMILES:C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.527
InChIKey:BWZPTBQPHUXSRA-UHFFFAOYSA-N
ID: 98033
SMILES:Oc1cc(CC(C(CC2(O)C(=C)CCCC2(C)C)=C)O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.464
InChIKey:KULHJCOEZWUGKU-UHFFFAOYSA-N
ID: 98034
SMILES:Oc1cc(CCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N
ID: 98035
SMILES:CC(CCCC)(c1c(C)cc2c(c1O)C(=O)CC(C)(C)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.599
InChIKey:HFEVJZVFKKIYJR-UHFFFAOYSA-N
ID: 98036
SMILES:CC12CCC(CC1Cc1ccc(CCCCCC)c(O)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.504
InChIKey:VBQQMXQXUXMEQX-UHFFFAOYSA-N
ID: 98037
SMILES:C1Cc2c(O)cc(CCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -17.772
InChIKey:YVGFJIKWCMZZAS-UHFFFAOYSA-N
ID: 98038
SMILES:C12C(CC=C(C)C1O)C(C)(C)Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.497
InChIKey:LKVCYDRHDMXNQI-UHFFFAOYSA-N
ID: 98039
SMILES:C(C(=O)OC=CC1C(CCC=C(C)C)(C)C2CCC(C)(O1)C1Oc3c(c(O)cc(CCCCC)c3)C1C2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.78
CB1 binding score: -15.624
InChIKey:ICVIDNZAZXZALX-UHFFFAOYSA-N
ID: 98040
SMILES:Oc1c(CCCC)c(O)c(C=O)c2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.942
InChIKey:QJXDLEOOGSNMAD-UHFFFAOYSA-N
ID: 98041
SMILES:c1(O)cc(CC)c(O)c(C2C=C(C)CCC2C(=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.306
InChIKey:HKPHIZJSDBBDFE-UHFFFAOYSA-N
ID: 98042
SMILES:C1C(C)C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)c(C(=O)OC(C)(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.617
CB1 binding score: -14.614
InChIKey:LTKUOMMNGDHTOB-UHFFFAOYSA-N
ID: 98043
SMILES:C1(c2ccccc2)OC(C)(C)c2ccc3c(c21)CCC(O)C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -15.562
InChIKey:DRLADGMCSLRQMB-UHFFFAOYSA-N
ID: 98044
SMILES:CC(C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.083
InChIKey:TUJSWWIBRRDPKK-UHFFFAOYSA-N
ID: 98045
SMILES:C1CCC2(O)Cc3c(O)cc(CCCCC)cc3OC2(C)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.537
InChIKey:AOXGIGPPYSWOMF-UHFFFAOYSA-N
ID: 98046
SMILES:Oc1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.889
InChIKey:UQZHCXRAKGTLRR-UHFFFAOYSA-N
ID: 98047
SMILES:c1(O)c2c(c(C)c(C(C(C)C)OC(=O)C)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.831
InChIKey:ZURCGQKKOWQMEU-UHFFFAOYSA-N
ID: 98048
SMILES:C1C=C(C)C2=C(c3c(O)c(C(O)=O)c(CCCCC)cc3O)OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.316
InChIKey:ZWWCIPXMCQGBLG-UHFFFAOYSA-N
ID: 98049
SMILES:C12C(O)(C)CCC(C(O)=O)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.981
InChIKey:ARYXRAIFSFFCAU-UHFFFAOYSA-N