ID: 83518
SMILES:O=C(OC1C(C)=CC2c3c(ccc(CCCCC)c3)OC(C)(C)C2CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.07
InChIKey:AUTDQLRWJAREIF-UHFFFAOYSA-N
ID: 83519
SMILES:CC(=CCC1(Cc2ccccc2)Oc2c(c(O)cc(CC)c2)C=C1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.578
CB1 binding score: -13.897
InChIKey:XVVMDWVFBGVJAY-UHFFFAOYSA-N
ID: 83520
SMILES:CCCCCc1cc2c(c(O)c1)C1C(O)C(=C)C3CC1(CC3)C(O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.418
InChIKey:TUJGRWUHKYULPF-UHFFFAOYSA-N
ID: 83521
SMILES:C(O)(=NC)Oc1cc(CCCCC)ccc1C#CC1=CCC(C(C)=C)C1(C)CCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.57
CB1 binding score: -11.814
InChIKey:LPOUZEHYAZBGNB-UHFFFAOYSA-N
ID: 83522
SMILES:C1C2C3=C(C)C(CCCCCCC)=CC(C2C(C)(C)O3)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -15.841
InChIKey:SAHZLAFGYCJQSC-UHFFFAOYSA-N
ID: 83523
SMILES:c1(CCC(=O)c2c(O)c(C3C=C(C(O)=O)CCC3C(C)=C)c(O)c(C(O)CCCCC)c2)ccc(O)c(CC=C(C)C)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 620.783
CB1 binding score: -15.929
InChIKey:RUZWESVVNLBYNC-UHFFFAOYSA-N
ID: 83524
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)c(C)c(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.513
CB1 binding score: -16.89
InChIKey:BJKXIVVIJPMDJJ-UHFFFAOYSA-N
ID: 83525
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C=C(C)C1=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.289
InChIKey:IYDQRZNHWFARAE-UHFFFAOYSA-N
ID: 83526
SMILES:COc1c(O)ccc(O)c1C1C(CC=C(C)C)C(C)(CCC=C(C)C)Oc2cc(O)cc(C)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.2
InChIKey:ZKVSPMMIHOJRHB-UHFFFAOYSA-N
ID: 83527
SMILES:c1c(O)ccc(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 83528
SMILES:C1(C(=C)C)C(c2c(O)ccc(CCCCC)c2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.615
InChIKey:CRXGOYTUACLVFE-UHFFFAOYSA-N
ID: 83529
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 83530
SMILES:C1CC(C)=CCC2C(C)(C)Oc3cc(O)cc(C)c3CC2C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.374
InChIKey:VJALGBVTYLLJKH-UHFFFAOYSA-N
ID: 83531
SMILES:c1(CCCC)c(CCC)cc2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.209
InChIKey:NFTMRWHKEAIJNS-UHFFFAOYSA-N
ID: 83532
SMILES:c1c(CCCCC)cc2c(c1O)C13C=CC(C)CC1C(C(O)=C(C)C(O)=O)C3C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -14.992
InChIKey:LULDRRZEXABBMJ-UHFFFAOYSA-N
ID: 83533
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.781
InChIKey:BAIKPTUMYVNFFD-UHFFFAOYSA-N
ID: 83534
SMILES:C12(C)CC(O)CC(C)(C)C13C(C)(CC2)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.903
InChIKey:BRIIDCVCMXZRSU-UHFFFAOYSA-N
ID: 83535
SMILES:C=C(C)CC1C=C(C)CC2c3c(O)cc(C)cc3OC21C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.291
InChIKey:XDPWHBHNDCUIKM-UHFFFAOYSA-N
ID: 83536
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 83537
SMILES:CC1(CCC2C(C)(C)CCC=C2C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.032
InChIKey:VJDDOVCEUIPKBY-UHFFFAOYSA-N
ID: 83538
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1(O)C(=O)C=C(C)C(=O)C1=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.491
InChIKey:REZCNINCNSIGCQ-UHFFFAOYSA-N