ID: 99940
SMILES:C(C)(=O)OC(CC(C)=CCCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.952
InChIKey:FZLZQOQYQQPXBO-UHFFFAOYSA-N
ID: 99941
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)c(C(O)=O)c2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.459
InChIKey:VSGIZLVGESQNDC-UHFFFAOYSA-N
ID: 99942
SMILES:C1(CCc2ccccc2)Oc2cc(CCCCC)cc3c2C2C(C(C)(O2)CC3C=C(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -17.094
InChIKey:AMABQNWHLZKGMQ-UHFFFAOYSA-N
ID: 99943
SMILES:CCCCCc1cc(O)c(C2C(O)C(OC)OC2)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.363
CB1 binding score: -16.123
InChIKey:SQXYJZINGIOBDN-UHFFFAOYSA-N
ID: 99944
SMILES:CC1=CC2C(C(C)(C)Oc3c(O)c(C(C)C(=O)C(CC)C)c(O)c(C)c32)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.884
InChIKey:YOOXZAOKACYPHP-UHFFFAOYSA-N
ID: 99945
SMILES:C1(c2c(O)ccc(Br)c2O)C=C(C)CC(C)C1CC(C1(C)C=CC(=O)O1)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 477.439
CB1 binding score: -15.772
InChIKey:SVIAGWDLUFNVEA-UHFFFAOYSA-N
ID: 99946
SMILES:C1CCC2(C)C(CC3C(C)(C)Oc4c3c(O)cc(CCCCC)c4)C(=C1C)C(CC)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -15.341
InChIKey:GJCQYBWKDILVPO-UHFFFAOYSA-N
ID: 99947
SMILES:C(C)(=C)C1C(c2c(O)cc(CCC)c3c2OC(C)(C)C=C3)c(O)cc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -15.599
InChIKey:FXMGERMWDTUCIN-UHFFFAOYSA-N
ID: 99948
SMILES:C1(O)C(OCCCCCCC)c2c3c(c(O)c(O)c2C(C)C)OC(C)(C)C2CCC(C)(C12)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.627
CB1 binding score: -17.279
InChIKey:ZCAVVQWYGUWZDY-UHFFFAOYSA-N
ID: 99949
SMILES:C12=C(C)CCC13C(C)(C)Oc1c3c(cc(CCCCC)c1)[nH]2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.442
CB1 binding score: -15.369
InChIKey:JDSQEWKXQRWWAI-UHFFFAOYSA-N
ID: 99950
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(O)C(C)(O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 99951
SMILES:C(COC(=O)C)(=CCCC(C)=CCc1cc(O)c(C)cc1OC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.788
InChIKey:FVDFXDWARBBRNL-UHFFFAOYSA-N
ID: 99952
SMILES:c1c(CCCCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 99953
SMILES:C1C(C(C)=C)C(c2c(OC)ccc(CC[N+](O)(C)C)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.491
CB1 binding score: -15.053
InChIKey:RJYHJOSQVQHXNK-UHFFFAOYSA-O
ID: 99954
SMILES:CC1(C)C2CC3c4c(cc(CCCCC)c(O)c4)OC3(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.297
InChIKey:VRDASJSLBOIOAA-UHFFFAOYSA-N
ID: 99955
SMILES:O(C(C)=O)C1c2c(cc(O)cc2C)OC(C)(CCC(OC(=O)C)C(O)(C)C)CCC=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -15.368
InChIKey:YXMBSTWASZVJOI-UHFFFAOYSA-N
ID: 99956
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCC)c1)C2OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.497
InChIKey:BVEBFUUOUZECEE-UHFFFAOYSA-N
ID: 99957
SMILES:C12(C)Oc3c(cc(CCCCC)cc3O)C3C1C(C(=C)C)CCC3(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.209
InChIKey:XLJUPDRNVNJRDO-UHFFFAOYSA-N
ID: 99958
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 99959
SMILES:C1(c2c(O)cc(CCCCC)cc2O)CC(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 99960
SMILES:C(c1c(CCCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC(O)(C)C(O)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.686
InChIKey:YJGJHVOABHNMSW-UHFFFAOYSA-N