ID: 120856
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 120857
SMILES:C(CC1=CC(CC(C)=CCc2cc(O)cc(C)c2O)=C(C)CC1)(C(CC)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.929
InChIKey:YWERLEWIEYWHHN-UHFFFAOYSA-N
ID: 120858
SMILES:C1C2(CC(Cl)C(C)(C)O2)Oc2c(c(O)cc(CCC)c2)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.804
CB1 binding score: -13.935
InChIKey:UQJBYROKBOVYMH-UHFFFAOYSA-N
ID: 120859
SMILES:c12c(c(O)cc(CCC)c1)OC(C)(C)C1CC=C(C)CCC2C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.043
InChIKey:QWUUZSGMGLRWMW-UHFFFAOYSA-N
ID: 120860
SMILES:C12c3c(ccc(C4C(C(=C)C)CCC(C)=C4)c3O)OC(C)(C)C3CCC1(C3)C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.637
CB1 binding score: -16.795
InChIKey:ZQKHMKGYPQTIJC-UHFFFAOYSA-N
ID: 120861
SMILES:CC1C2C3(C(C(C)(C)CC2)CCC3C)Oc2c1c(OC)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -12.691
InChIKey:USEKHRZMVAGWPJ-UHFFFAOYSA-N
ID: 120862
SMILES:Oc1c(C)cc(O)cc1C1C(C(=C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.975
InChIKey:UUVKQBRZNCLIFS-UHFFFAOYSA-N
ID: 120863
SMILES:C1(C)=CCC2C(C)(C)C1c1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.502
InChIKey:PKQQUDRDEAUERB-UHFFFAOYSA-N
ID: 120864
SMILES:Oc1c(C2C(C(C)=C)CC(=O)C(C)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.417
InChIKey:WKNDXJXENAPUOX-UHFFFAOYSA-N
ID: 120865
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(OC)c(Br)c1CCC(C)(C=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 435.402
CB1 binding score: -13.116
InChIKey:SYCXDDGVQUUNNY-UHFFFAOYSA-N
ID: 120866
SMILES:C1=C(C)C2Oc3cc(CCCCC)cc(O)c3C2C1C(C(=O)O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -12.358
InChIKey:UAZZGKMXWYWPKR-UHFFFAOYSA-N
ID: 120867
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 120868
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.334
InChIKey:MIGNDUNKEMOGGL-UHFFFAOYSA-N
ID: 120869
SMILES:C1(C)=CCc2c(c(O)cc(CCCCC)c2O)C2C1OC(C)(C)C2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.106
InChIKey:NKGCFSYISIMKKX-UHFFFAOYSA-N
ID: 120870
SMILES:C1(OC(C)C)C(C)=CC(c2cc(CC=C(C)C)ccc2OC)C(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -12.74
InChIKey:NVQLMWSBOKHXAD-UHFFFAOYSA-N
ID: 120871
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 120872
SMILES:C(CCC(C)C)C(OC(C)=O)C1(C)CCC(O)C(C)(CC(c2cc(OC)c(C)cc2OC)=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -14.733
InChIKey:WJJGONRBHYMQPZ-UHFFFAOYSA-N
ID: 120873
SMILES:C1=CC(C)(C)Oc2ccc(CCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -18.42
InChIKey:HRPQXGKXIKLDMZ-UHFFFAOYSA-N
ID: 120874
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)CC(C(C(C)=C)(CC)O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -17.42
InChIKey:WSCKBILPZMCSQI-UHFFFAOYSA-N
ID: 120875
SMILES:CC(C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 120876
SMILES:OC1C(O)C(CO)OC(Oc2cc(CCC)cc(O)c2CC=C(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.453
CB1 binding score: -16.751
InChIKey:OFSMJMSYDYGARU-UHFFFAOYSA-N