ID: 80200
SMILES:C(CC=C(C)CCC=C(C)C)C1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.334
InChIKey:NADWYTHYDAXNAO-UHFFFAOYSA-N
ID: 80201
SMILES:C12c3c(cc(CCCCC)cc3O1)OC(C)(C)C1CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.124
InChIKey:GALAYGWPJGQICH-UHFFFAOYSA-N
ID: 80202
SMILES:C1(C(O)=O)=CC2c3c(O)cc(CCCCC)cc3OC(C(C)(C)O2)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -16.625
InChIKey:XEJBTVRJVGSACR-UHFFFAOYSA-N
ID: 80203
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)C2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.929
InChIKey:VYHNYNASWRTVGZ-UHFFFAOYSA-N
ID: 80204
SMILES:C(C)C(c1c(O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.362
InChIKey:QJSFMXBPMNAJNQ-UHFFFAOYSA-N
ID: 80205
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 80206
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 80207
SMILES:c12cc(CCCCC)cc(O)c1OC1(C)CC=C(C(C)C)C=C1CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.842
InChIKey:GVCGATPLJIBQPP-UHFFFAOYSA-N
ID: 80208
SMILES:C(=C(C)C)CC1=CC(C)(C)C=C(c2c(O)cc(CCCCC)cc2O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.228
InChIKey:XKCBWRZQHPXGHH-UHFFFAOYSA-N
ID: 80209
SMILES:BrCCC(C)(CCc1c(C)cc(O)c2c1CC(C)(C)OC2C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.342
CB1 binding score: -15.871
InChIKey:NMSJRXZHOPWDCR-UHFFFAOYSA-N
ID: 80210
SMILES:O=C1C(O)=CC2C(C)(C1C=O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.769
InChIKey:IEQAAIAZCWHETO-UHFFFAOYSA-N
ID: 80211
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C(=O)O)=CC21)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.823
InChIKey:XNTYCOVNAHUAHX-UHFFFAOYSA-N
ID: 80212
SMILES:C1(C)(C)C2C3C(c4c(O)cc(CCCCC)cc4OC2(C)CC3)CC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.952
InChIKey:BCKBBZVKOQJKFK-UHFFFAOYSA-N
ID: 80213
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 80214
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 80215
SMILES:C1C2c3c(cc(CCCCC)cc3OC)OC3(CCCC(C)C13C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.063
InChIKey:FHSNWHVEYGPXNZ-UHFFFAOYSA-N
ID: 80216
SMILES:C1=C(C)CCC2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 80217
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.442
InChIKey:FRBSLGKYEBNHLH-UHFFFAOYSA-N
ID: 80218
SMILES:c1(-c2ccc(CCCCC)cc2)cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -12.798
InChIKey:LYZNLGZHICAIJR-UHFFFAOYSA-N
ID: 80219
SMILES:c1(CCCC)cc2c(c(O)c1)C1C3C(CCC1(O)CO2)C(O)(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -9.025
InChIKey:JUSFBKDVRYDNDO-UHFFFAOYSA-N
ID: 80220
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2(O)C=C(CC=C(C)CCC=C(C)C)C(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -17.715
InChIKey:RKVDYXBEUWRWJT-UHFFFAOYSA-N