ID: 56239
SMILES:C1(C)CC(O)C23C4(CCC(C)(O2)Oc2c3c(O)cc(CCCCC)c2)OC41
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -12.405
InChIKey:HSMYYUAJJHFMJD-UHFFFAOYSA-N
ID: 56240
SMILES:C1(C)(O)CCC(C(=C)C)C1c1c(O)c(C(CCC)=O)c(O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.246
InChIKey:ZERSYOCJKMXOEJ-UHFFFAOYSA-N
ID: 56241
SMILES:C(c1c2c(ccc1O)OC(C)(C)C1OC3C(C(C)(O)CCC2C1C)CCC3C)CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.683
CB1 binding score: -16.43
InChIKey:QYKHPSHJRCYOSS-UHFFFAOYSA-N
ID: 56242
SMILES:CC1(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 56243
SMILES:O=C(OC)c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.122
InChIKey:GHQWHEOOZNZPEX-UHFFFAOYSA-N
ID: 56244
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 56245
SMILES:C1(CC(C)C)c2c(c(O)cc(CCCCC)c2)OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -14.838
InChIKey:ZIKPJHAOOVEKSU-UHFFFAOYSA-N
ID: 56246
SMILES:C1C(OS(O)(=O)=O)C(OS(=O)(=O)O)CC(C)(C)C12Oc1c(c(O)cc(CCCCC)c1)C3C=C(C)CCC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.714
CB1 binding score: -11.944
InChIKey:PYJONVNEYKZPGR-UHFFFAOYSA-N
ID: 56247
SMILES:C(C=C(C(=O)OC12CC=C(CO)CC1C(C)(C)Oc1cc(CCCCC)cc(OC(C(=CC)C)=O)c1C2)CO)OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.733
CB1 binding score: -14.463
InChIKey:PZXRVGMPQZJQQM-UHFFFAOYSA-N
ID: 56248
SMILES:CC(C)C1=CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.302
InChIKey:ZFYMSBHSCQINGL-UHFFFAOYSA-N
ID: 56249
SMILES:C1CC2C(C)(C)Oc3cc(CCCCBr)cc(O)c3C2C=C(C)CCC(O)C1CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 535.607
CB1 binding score: -15.291
InChIKey:DJCZJIWIUQTAEJ-UHFFFAOYSA-N
ID: 56250
SMILES:C(CC1=CC2C(CC1)C(C)(C)Oc1c2cccc1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -14.3
InChIKey:PLBYLOVGSUAFRC-UHFFFAOYSA-N
ID: 56251
SMILES:OCC(=C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.205
InChIKey:ZRPPFUNWQJEAQI-UHFFFAOYSA-N
ID: 56252
SMILES:CC1c2c(cc(C)cc2O)OC(C)(C)C1CCC1=CC(=O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -12.843
InChIKey:MGOZIBURLDDFKG-UHFFFAOYSA-N
ID: 56253
SMILES:CC1(Cc2c(OC(=O)C)cc(CCC)cc2O)Oc2c(OC)cc(OCC=C(CCC=C(C)C)C)cc2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.709
CB1 binding score: -16.249
InChIKey:GQEGMWHPCPNUEZ-UHFFFAOYSA-N
ID: 56254
SMILES:C(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2CC1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 56255
SMILES:O(c1cc(CCCCC)ccc1C1OCC(C)=CC1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.141
InChIKey:RPBZMOMETDTSNY-UHFFFAOYSA-N
ID: 56256
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 56257
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56258
SMILES:c1(CCCCC)cc(O)c2c(c1)C1C(CCC(C(=O)O)=C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.687
InChIKey:PPCVIGLNKRHXAY-UHFFFAOYSA-N
ID: 56259
SMILES:CC1(C)Oc2c(cc(CCCCC)cc2)C2C1CCC(=C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.976
InChIKey:MHGTVQZCYKDWLP-UHFFFAOYSA-N