ID: 21841
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 21842
SMILES:Oc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 21843
SMILES:C(CCCc1cc2c(c(O)c1C=O)CC(CC=C(C)C)=C(C)C2O)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.353
InChIKey:UCBAEKSCMGWUTH-UHFFFAOYSA-N
ID: 21844
SMILES:c1c(C)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 21845
SMILES:C(CCC)Cc1c(C(O)=O)cc2c(c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.239
InChIKey:VYXHXOLXILHRLC-UHFFFAOYSA-N
ID: 21846
SMILES:C1CC(OC(=O)C)C(C)(O)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.54
InChIKey:YFNOJAUHIOTRLI-UHFFFAOYSA-N
ID: 21847
SMILES:C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.808
InChIKey:KTNCWYYCPMPOCS-UHFFFAOYSA-N
ID: 21848
SMILES:O(C)c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 21849
SMILES:C1C2=CC(c3c(O)cc(C)cc3OC2(C)C)C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -15.912
InChIKey:HJCLDBXTSAZDKI-UHFFFAOYSA-N
ID: 21850
SMILES:C12C(C)(C)CC1C(=O)C=C(C1Oc3cc(CCCCC)cc(O)c31)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.206
InChIKey:FDBJKRRQGWPWJP-UHFFFAOYSA-N
ID: 21851
SMILES:C1CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -19.22
InChIKey:AHKIGVNVQSVNEP-UHFFFAOYSA-N
ID: 21852
SMILES:C(c1cc(O)c(CC=C(C)C)c(O)c1)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 21853
SMILES:C1C2C3(C(C)(Oc4cc(CCCCC)cc(O)c43)C3C=C(C(=O)O3)C1)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.655
InChIKey:MPXNRBJERGJVJE-UHFFFAOYSA-N
ID: 21854
SMILES:C(CCCc1cc2c(c(OC)c1)C(=O)OC(C)(C)C1CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -11.766
InChIKey:RETKOUXWMIAIHP-UHFFFAOYSA-N
ID: 21855
SMILES:C(CC(c1cc(O)c(C2OC(CO)C(O)C(O)C2O)c2c1OC(C)(C)C1C2CC(C)(O)CC1)CC)(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.706
CB1 binding score: -15.47
InChIKey:AITGFYVPTKHRPW-UHFFFAOYSA-N
ID: 21856
SMILES:CCCCCCc1cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -18.06
InChIKey:DUNLYOQOJQUZRD-UHFFFAOYSA-N
ID: 21857
SMILES:C(C1C(=O)CC(C)=CC1c1c(O)cc(CCCCCCC)cc1OC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.027
InChIKey:KHSZSCFQKQXKLR-UHFFFAOYSA-N
ID: 21858
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 21859
SMILES:C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 21860
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(OC(=O)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.614
InChIKey:TYPAOSOPLJWTNK-UHFFFAOYSA-N
ID: 21861
SMILES:CCCCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.812
InChIKey:WTUQJIWILXAALS-UHFFFAOYSA-N