ID: 101473
SMILES:OC(CCCc1c2c(c(O)c(O)c1)C1C=C(C(=O)O)CCC1C(C)(C)O2)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.448
CB1 binding score: -14.605
InChIKey:CEKDCHPEPHPYFC-UHFFFAOYSA-N
ID: 101474
SMILES:C1(O)C(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.217
InChIKey:HTXYQUMFRCJZTN-UHFFFAOYSA-N
ID: 101475
SMILES:C1C(C)(C)C(Oc2cc(CCCCC)cc(O)c2)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.838
InChIKey:XLORIEPOUCUORV-UHFFFAOYSA-N
ID: 101476
SMILES:C(C)(C)=CCCC(C)(C1CCC(C)=CC1c1c(O)cc(C(O)CCCC)cc1O)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -14.954
InChIKey:CDXSOUIQTYBRDI-UHFFFAOYSA-N
ID: 101477
SMILES:C1(C(C)C)CCC(C)=CC1c1c(O)c(C(OC)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.306
InChIKey:LQRAOZLHACSNNH-UHFFFAOYSA-N
ID: 101478
SMILES:C(Oc1cc(CCC)cc2c1c1c(cc2)C2C(CCC(=C)C)C(C)(C)OC1=C(CC=C(C)C)C2=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.696
CB1 binding score: -15.117
InChIKey:DUUXGYCYNJGUTK-UHFFFAOYSA-N
ID: 101479
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(C)C)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.812
InChIKey:WTUQJIWILXAALS-UHFFFAOYSA-N
ID: 101480
SMILES:O(c1c(C2C=C(C)CCC2C(=C)C)c(O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 101481
SMILES:C(Cc1cc(C2C(C(=C)C)CCC3(C)Oc4cc(CCCCC)cc(O)c4C(CCC(C)=C)C32)cc(C)c1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.913
CB1 binding score: -15.228
InChIKey:JORAXFYEFQOGHI-UHFFFAOYSA-N
ID: 101482
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 101483
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 101484
SMILES:c1(Cl)c(C)cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.834
CB1 binding score: -15.258
InChIKey:KEKRIDRHRXDKGA-UHFFFAOYSA-N
ID: 101485
SMILES:C1(O)Cc2c(O)ccc(O)c2C2C=C(CCC=C(C)C)CCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.414
InChIKey:YHWKOJMFAHQBAW-UHFFFAOYSA-N
ID: 101486
SMILES:C(=O)(OC1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.809
InChIKey:LYYXIGKANTUELM-UHFFFAOYSA-N
ID: 101487
SMILES:OC1CCC(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.109
InChIKey:MZTHPNLXPKQLAC-UHFFFAOYSA-N
ID: 101488
SMILES:CC1(C)C2CCC(C)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 101489
SMILES:C1(CC=C(C)C)C(C)(CC=C(CC)C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 370.577
CB1 binding score: -13.087
InChIKey:LYWJNPFELSQTAC-UHFFFAOYSA-N
ID: 101490
SMILES:C(CCC(CC)(C)C)C1(C)CCc2c(cc(C)c(O)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -16.723
InChIKey:CGCBEUYGTOLJLU-UHFFFAOYSA-N
ID: 101491
SMILES:C(CCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.184
InChIKey:PPYPZITWHSUIEQ-UHFFFAOYSA-N
ID: 101492
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 101493
SMILES:CC1=CCCC23CC(c4c(O)cc(C(C)C(OC(=O)C)CCC(C)=C)cc4O)OC12C(=O)OC3C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -15.302
InChIKey:YWTFZPARXVPYKB-UHFFFAOYSA-N