ID: 54433
SMILES:Oc1cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)C(OO1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.845
InChIKey:MBTCYONTICBXAZ-UHFFFAOYSA-N
ID: 54434
SMILES:CC1=CC2c3c(cc(CCCCC)c(C(=O)OC(C)=O)c3)C1(C)CCC2C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.795
InChIKey:JNMUKJFGZXPAMO-UHFFFAOYSA-N
ID: 54435
SMILES:C(COCc1ccccc1)CCCCCCCc1cc2c3c(c1)OC1(C)CC3C(CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.701
CB1 binding score: -13.311
InChIKey:IFRQSNFXDSVPLZ-UHFFFAOYSA-N
ID: 54436
SMILES:c1(O)c2c(cc(CCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 54437
SMILES:Oc1c(C(O)=O)c(O)c(O)cc1CC1C(C)(C)C2C3C(C)(CC(C(=O)C2C)C3O)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -15.306
InChIKey:JCDMDDVEZVQEAD-UHFFFAOYSA-N
ID: 54438
SMILES:C12C(O)(c3c(cc(CCCCC)cc3O)OC1(C)C)C1C=C(C)CCC1C(=C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -12.13
InChIKey:RPBXWTSVEYDVIB-UHFFFAOYSA-N
ID: 54439
SMILES:C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC1(O)C(CCC1=C)OC(=O)C2C)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -15.349
InChIKey:QKCJDYOBAHALRE-UHFFFAOYSA-N
ID: 54440
SMILES:Oc1c(C(O)CC(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.989
InChIKey:QAYWMALPWJAYCY-UHFFFAOYSA-N
ID: 54441
SMILES:c1c(C(=C)c2c(O)c(O)c(C(C)C)cc2)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.549
CB1 binding score: -12.672
InChIKey:NRVHMHKXPAIPDW-UHFFFAOYSA-N
ID: 54442
SMILES:O(C)c1c(C)c(OC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.519
InChIKey:UMJAGFLGEZQDSY-UHFFFAOYSA-N
ID: 54443
SMILES:O(c1c2cc(c(O)c1)C(O)C1C(C(C)(C)O2)CC=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -13.39
InChIKey:WKZKPTWRMRTVRM-UHFFFAOYSA-N
ID: 54444
SMILES:CC(=CC1c2c(c(O)cc(CCCCC)c2)C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -13.978
InChIKey:UAOLVGNHXITNFC-UHFFFAOYSA-N
ID: 54445
SMILES:CC1C2C(c3c(cc(CCCC)cc3O)OC2(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.769
InChIKey:MUNSSKNESZUHES-UHFFFAOYSA-N
ID: 54446
SMILES:CC1CC=C(C(C)CCC=C(C)C)c2c1c(O)cc(CCCCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -15.259
InChIKey:VOQKKUGIFUJHLM-UHFFFAOYSA-N
ID: 54447
SMILES:C(=C)(C)C1CCC(C)=CC1c1c(O)cc(OC)c2c1OC(c1c(O)ccc(O)c1)C(C)(CCC=C(C)CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.785
CB1 binding score: -14.175
InChIKey:ZNKBKKFEQCUVHH-UHFFFAOYSA-N
ID: 54448
SMILES:C1(C)=CC2c3c(O)cc(CC)cc3OC(CCC=C(C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.826
InChIKey:NKBQRXXMLZRAQW-UHFFFAOYSA-N
ID: 54449
SMILES:C1(C)=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54450
SMILES:c1(OC)c(OC)c(C)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.334
InChIKey:BOOFEVAVSYZKNL-UHFFFAOYSA-N
ID: 54451
SMILES:C(CCC)Cc1cc2c(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: 54452
SMILES:C(CC)CCCCc1cc(O)c(C2C=C(C(O)C)CCC2C(=C)C)c(C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -15.377
InChIKey:PBRAHZOQJROKTM-UHFFFAOYSA-N
ID: 54453
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N