ID: 34441
SMILES:C1c2c(cc(CCC)cc2O)OCC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 206.285
CB1 binding score: -16.295
InChIKey:GSHJZIATRBYOOD-UHFFFAOYSA-N
ID: 34442
SMILES:Cc1c(C(OC)=O)c(CCCCC)cc2c1OC(CC)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.994
InChIKey:RJHGMPQJZZTUNC-UHFFFAOYSA-N
ID: 34443
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 34444
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C=O)c(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 34445
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:OUNVQELVMFLOGJ-UHFFFAOYSA-N
ID: 34446
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 34447
SMILES:O=C(OC1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.944
InChIKey:HTPNXIVNXAMVFM-UHFFFAOYSA-N
ID: 34448
SMILES:CC(CCCC(C=O)=C)=CCc1c2c(cc3c1-c1c(O)cc(CCCCC)c(C(=O)OC)c1O3)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 612.807
CB1 binding score: -15.769
InChIKey:WGABNOKNTCPVFF-UHFFFAOYSA-N
ID: 34449
SMILES:O[N+](=O)c1cc(C2C(C(C)=C)CCC(C)=C2)cc(CC#C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.39
CB1 binding score: -12.258
InChIKey:QRBINCLDPKLWFZ-UHFFFAOYSA-N
ID: 34450
SMILES:c1(O)c(C(C2(C)CCCC2(C)C)=O)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.124
InChIKey:XQDBFCUFNXXRSK-UHFFFAOYSA-N
ID: 34451
SMILES:CC1(C)C2(C(C)=C(C)CC1)c1c(c3c(c(O)c1)CC(O)C(C)(C)O3)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.167
InChIKey:BGRMEZFSVPUZHD-UHFFFAOYSA-N
ID: 34452
SMILES:c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)C(CC(C)=C)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.288
InChIKey:IGUSTXLFADPSFB-UHFFFAOYSA-N
ID: 34453
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 34454
SMILES:C1C(C)(C)C2C(c3c(O)cc(CCCCC)cc3O1)OC(C=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.675
InChIKey:SMHMPUGPIHQYCX-UHFFFAOYSA-N
ID: 34455
SMILES:C1(C)(CCC=C(C)C)C=Cc2c(O)cc(CCCCC)c(C(=O)O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.934
InChIKey:LVVBWLIVGSVZPM-UHFFFAOYSA-N
ID: 34456
SMILES:CC1(C)C=Cc2c(cc(CCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -18.332
InChIKey:BLTMDVBCVIKEGR-UHFFFAOYSA-N
ID: 34457
SMILES:c12c(c(OC)cc(CCCCC)c1)C1C(C(C)(O)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.334
InChIKey:PNPAWGHEOCHRIF-UHFFFAOYSA-N
ID: 34458
SMILES:c1(CC=C(CCC=C(C)C=O)C)cc(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.775
InChIKey:UUFJGBHYTZCKJI-UHFFFAOYSA-N
ID: 34459
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CC(O)C)c(O)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.129
InChIKey:VORCIOQGHPICQQ-UHFFFAOYSA-N
ID: 34460
SMILES:C1(C)C(C)(C(OC(=O)C)CC2(C)C(C)CCC=C2C)Oc2cc(COC(=O)C)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -19.746
InChIKey:KZBVONINQICKHJ-UHFFFAOYSA-N
ID: 34461
SMILES:OC1C(O)C(OC(=O)CCCCC)C(C)OC1Oc1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.755
CB1 binding score: -16.85
InChIKey:YPMHAQHPRGXBDM-UHFFFAOYSA-N