ID: 112855
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.943
InChIKey:QOVOSRUONCHPIN-UHFFFAOYSA-N
ID: 112856
SMILES:C(Oc1c(C)cc(OC)cc1C1C(C(C)=C)CCC(C)=C1)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -10.073
InChIKey:DYWOEYUDSGZIHP-UHFFFAOYSA-N
ID: 112857
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.782
InChIKey:CPUOYVAXKAXEDL-UHFFFAOYSA-N
ID: 112858
SMILES:c1(O)cc(CCC)cc(O)c1C1(C)C(=O)C=CC(CCCCCC2=C(C)CCCC2(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -15.519
InChIKey:OYKKKOGFRIHOMC-UHFFFAOYSA-N
ID: 112859
SMILES:CCCCCc1c(O)c2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.118
InChIKey:XRHYRWPETQMYOD-UHFFFAOYSA-N
ID: 112860
SMILES:C(C)(=C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1)CCC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.734
CB1 binding score: -13.611
InChIKey:VYQURYOPQVPUBB-UHFFFAOYSA-N
ID: 112861
SMILES:C(C(O)(CCC=C(C)C)C)=CCC1(C)Oc2c(cc(O)c(O)c2)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.434
InChIKey:JEMQSDCXXWXHIO-UHFFFAOYSA-N
ID: 112862
SMILES:C(CCC)Cc1cc(O)c2c(c1C=CC=C(C)C)OC1C(=O)C2C(C)(O1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.757
InChIKey:VRLDPAWHDORTRV-UHFFFAOYSA-N
ID: 112863
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 112864
SMILES:C(CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(CCC(C)C)c1)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.805
CB1 binding score: -12.672
InChIKey:VQWQYWQHAMIAIV-UHFFFAOYSA-N
ID: 112865
SMILES:c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCNC(=O)C=CS(=O)(=O)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 403.544
CB1 binding score: -15.519
InChIKey:NJQIGPGKAURQDP-UHFFFAOYSA-N
ID: 112866
SMILES:CC1(C)Oc2cc(C)cc(O)c2C2=CC(=C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -16.573
InChIKey:PYIQNVDYMJZZPY-UHFFFAOYSA-N
ID: 112867
SMILES:Oc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.218
InChIKey:UZWBOVFGUISXLX-UHFFFAOYSA-N
ID: 112868
SMILES:OC(=O)C1(C)C(Oc2ccc(CCCCC)cc2O)C(C(=C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.166
InChIKey:ZLFWQICONJOZMD-UHFFFAOYSA-N
ID: 112869
SMILES:C(CC(C)=O)CC1(C)Oc2c(c(OC(=O)C)cc(C)c2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.826
InChIKey:RDXVLOMDQLIVLN-UHFFFAOYSA-N
ID: 112870
SMILES:O1c2cc(CCCCC)cc(O)c2C2(O)C(C(C)(C)OC(C)(C=C)CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.166
InChIKey:AEDVOIGLRYCQSN-UHFFFAOYSA-N
ID: 112871
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112872
SMILES:C1(O)C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.15
InChIKey:QZEDRBREAOKCTH-UHFFFAOYSA-N
ID: 112873
SMILES:C(Cc1c(O)cc(O)c2c1OC(C)(CCC=C(C)C)C(O)C2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.701
InChIKey:KKDYHURGLXVKQB-UHFFFAOYSA-N
ID: 112874
SMILES:c1c2c(O)ccc1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.929
InChIKey:MDXOWZXYDQJAQS-UHFFFAOYSA-N
ID: 112875
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -17.795
InChIKey:ADAXZBRDQCTCQY-UHFFFAOYSA-N