ID: 56806
SMILES:C1(CCC(C(C)C)=O)(C)C=Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.549
InChIKey:CMASNFYZZPUPII-UHFFFAOYSA-N
ID: 56807
SMILES:O(c1c2c(cc(C)c1)OC(C)(C)C(O)C=CC(C)=C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.633
InChIKey:SLDDGTVPUVFNAE-UHFFFAOYSA-N
ID: 56808
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 56809
SMILES:O=C1C2(C)Oc3c(c(O)cc(CCC)c3)C(O)C2C(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13
InChIKey:XLDOPOOPPCICTQ-UHFFFAOYSA-N
ID: 56810
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 56811
SMILES:C1(C)C2=C(OC(C(O)CC)C(O)C2C)C(=O)C2=C1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.711
InChIKey:FGRLNKBPGDXGKY-UHFFFAOYSA-N
ID: 56812
SMILES:CC1(C)Oc2cc(CCCCC)c(O)c3c2C1CC1(C)C(C3)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.674
InChIKey:PDCOYZSBHVWQAB-UHFFFAOYSA-N
ID: 56813
SMILES:C(=O)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.974
InChIKey:BVONMZQAQKRPNW-UHFFFAOYSA-N
ID: 56814
SMILES:c1(CCCCC)cc(O)c(-c2c(O)c(OC)c(CC=C(C)C)c(O)c2CC=C(C)C)c(O)c1CC1=C(C)CC(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.872
CB1 binding score: -15.107
InChIKey:HEZKAMPJVDEZOP-UHFFFAOYSA-N
ID: 56815
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 56816
SMILES:c1(C2C(C(C)C)C(OC(=O)C=CC)C(=O)C(C)=C2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.093
InChIKey:HRVLPTJFUZPTHR-UHFFFAOYSA-N
ID: 56817
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56818
SMILES:c1(O)c(C(O)=O)c(CCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.521
InChIKey:IQSYWEWTWDEVNO-UHFFFAOYSA-N
ID: 56819
SMILES:C(CCCC)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.998
InChIKey:WEXWEVHYGRTMNG-UHFFFAOYSA-N
ID: 56820
SMILES:C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 56821
SMILES:c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)c2c(c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.714
InChIKey:BCEPIVDWSNUASQ-UHFFFAOYSA-N
ID: 56822
SMILES:C1C(C)CC2C(C(C)(C)Oc3c2c(OC)cc(C)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.065
InChIKey:XKFQDAJJQNKYGW-UHFFFAOYSA-N
ID: 56823
SMILES:C1(C)(C)C2C(c3c(O)cc(CC)cc3O1)CCC(C)(C=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.383
InChIKey:GSAPQEZDXYDYHG-UHFFFAOYSA-N
ID: 56824
SMILES:C(C=C)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.721
InChIKey:ISEAWJVZGGCQOC-UHFFFAOYSA-N
ID: 56825
SMILES:O(c1cc(C)c(OC)cc1-c1cc2c(cc1C)OC(C)(C)C1C(C=C(C)CC1)C2=O)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.647
CB1 binding score: -15.223
InChIKey:KWHMQXWPVXHWAO-UHFFFAOYSA-N
ID: 56826
SMILES:C1(c2c(O)cc(CCCCC)cc2)CC(C)=CCC12C1(C)CCC(=O)C(C)(C)OC1CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -8.856
InChIKey:AZVGCIKSJHRPPI-UHFFFAOYSA-N