ID: 48805
SMILES:C1=CC2C(c3c(O)c(C(OC)=O)c(CCCCC)cc3OC2(C)C)c2ccoc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -15.379
InChIKey:SHDGGRCIETYLOO-UHFFFAOYSA-N
ID: 48806
SMILES:CC(=CC(c1c(O)c(C=O)c(CCCCC)cc1O)=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.032
InChIKey:DRHJQZFUJWJQNC-UHFFFAOYSA-N
ID: 48807
SMILES:C12c3c(c(CCCCC)cc(O)c3)OC(C)(C)C1C=CC(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.787
InChIKey:RWGPGJLJSUKLJO-UHFFFAOYSA-N
ID: 48808
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 48809
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.748
InChIKey:LLAAZDYTZYGRPH-UHFFFAOYSA-N
ID: 48810
SMILES:C1(C)(C)C2C3C1c1c(cc(CCCCC)cc1O)OC2C1OC1(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.613
InChIKey:RUCDNHZCZHLUCD-UHFFFAOYSA-N
ID: 48811
SMILES:C(Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.758
InChIKey:TXVRIJHVLPFPMD-UHFFFAOYSA-N
ID: 48812
SMILES:c1c(C=O)c2c(cc1O)OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -15.612
InChIKey:GYVUNJRFFJZKHH-UHFFFAOYSA-N
ID: 48813
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.24
InChIKey:CDIYVSQGAYSHQJ-UHFFFAOYSA-N
ID: 48814
SMILES:C1C(C)=CCC2(C(C(=O)O)CCC2=O)c2c(O)cc(CCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -14.558
InChIKey:XQVKAMXAHTVIJN-UHFFFAOYSA-N
ID: 48815
SMILES:Oc1c2c(cc(CCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 48816
SMILES:CCCCCc1cc(O)c(C2C=C(C(OC)=O)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.836
InChIKey:NEJLDHYBFLFCFA-UHFFFAOYSA-N
ID: 48817
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 48818
SMILES:c1(CCCCC)cc2c(c(O)c1)CC1(O2)OC(C)(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.174
InChIKey:YQNVVTMOXZEURV-UHFFFAOYSA-N
ID: 48819
SMILES:CC(C)=CC(OC(C)=O)c1c2c(c(OC)cc1CCCCC)OC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.593
InChIKey:MQFADCWNAUCSDP-UHFFFAOYSA-N
ID: 48820
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 48821
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 48822
SMILES:c1cc(C(=O)C)c(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.218
InChIKey:QLQQSXJVMGIIKL-UHFFFAOYSA-N
ID: 48823
SMILES:COC(C(c1cc2c(c(O)c1)OC(C)(C)C1C(C=C(C)CC1)O2)COC(=O)C)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -16.24
InChIKey:NYZRVGJYNMJITJ-UHFFFAOYSA-N
ID: 48824
SMILES:O=C(c1c(O)c2c(cc1C)OC(C)(C)C1CC=C(C)CC21)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.588
InChIKey:MRPCOLJYENXYNI-UHFFFAOYSA-N
ID: 48825
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.244
InChIKey:GDCMXBNPYXPZLN-UHFFFAOYSA-N