ID: 59788
SMILES:c1cc(CCCCC)c2c(c1O)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.929
InChIKey:VWTITNACJKRXDS-UHFFFAOYSA-N
ID: 59789
SMILES:C(=C)(C1C(C(O)=O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.106
InChIKey:KGXXXAQUNSSFAM-UHFFFAOYSA-N
ID: 59790
SMILES:c1(CCCCC)cc(O)c(C(O)=O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.86
InChIKey:WZTLWVKEFKJNLU-UHFFFAOYSA-N
ID: 59791
SMILES:C12C(=O)C=C(C)CC1c1c(O)cc(CCCCC)cc1OC21C2C(C)(CCC1C(=C)C)C(C)CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.728
CB1 binding score: -15.102
InChIKey:HQVMLSLZPSEVNV-UHFFFAOYSA-N
ID: 59792
SMILES:CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)-c2cccc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -15.682
InChIKey:DKCCDWSAZLHGOC-UHFFFAOYSA-N
ID: 59793
SMILES:C1(c2ccccc2)(O)CC(C(=C)C)C(c2cc(CCC(C)C)ccc2O)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -16.33
InChIKey:ZSGSVLUIBVZUIA-UHFFFAOYSA-N
ID: 59794
SMILES:c12c(c(C=C)cc(OC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.477
InChIKey:VVMGAZAVTUCRNX-UHFFFAOYSA-N
ID: 59795
SMILES:CC(C)=CC1C=C2C(=C1C)C(CC1(C)CCc3c(c(C)cc(O)c3)O1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -12.821
InChIKey:JVDITVIGBWYNJA-UHFFFAOYSA-N
ID: 59796
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 59797
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 59798
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 59799
SMILES:CCCCCc1cc2c(c(O)c1C=O)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.604
InChIKey:JGQKBHANMKBVEI-UHFFFAOYSA-N
ID: 59800
SMILES:C(C)CCCc1cc2c(c(O)c1C(O)=O)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 59801
SMILES:C(O)C1=CC2c3c(c(O)c(CC=C(CCC=C(C)C)C)c(O)c3)OC(C)(C)C2CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -15.315
InChIKey:GHJCYBITGSURFI-UHFFFAOYSA-N
ID: 59802
SMILES:Cc1cc(OC)cc(C)c1CC1C(C)(C)OC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -16.167
InChIKey:SEHBYDLBEPSFRU-UHFFFAOYSA-N
ID: 59803
SMILES:CC1=CC2C(CC1)C(C)(CO)Oc1c2c(O)c(Br)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.256
CB1 binding score: -14.747
InChIKey:LMBDYOGTEHOZOL-UHFFFAOYSA-N
ID: 59804
SMILES:c1(CCCCC)c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 59805
SMILES:CC(=CCCC(C1CC=C(C)C2c3c(c(OC)cc(CCCCC)c3O)OC(C)(C)C12)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -14.359
InChIKey:ZGPIWUBJJXRTSQ-UHFFFAOYSA-N
ID: 59806
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 59807
SMILES:c1c(CCC)cc2c(c1)OC(C)(C)C1CCC(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -15.578
InChIKey:XXEHJTXUWRPXJS-UHFFFAOYSA-N
ID: 59808
SMILES:C(=C)(CO)C1C(c2c(O)c(CC=C(C)C)c(O)cc2CCCCC)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.576
InChIKey:XRKPVSBLPPLQJO-UHFFFAOYSA-N