ID: 121990
SMILES:O1c2cc(CCCCCCC)cc(O)c2-OC2(C3CCC(C)(OO2)C3C=C(C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -15.002
InChIKey:MXUVQNOTKKQQEJ-UHFFFAOYSA-N
ID: 121991
SMILES:CC(O)(C1Oc2c(c(O)cc(CCCCC)c2)C1C=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.334
InChIKey:UBQFLOIHIUTIQK-UHFFFAOYSA-N
ID: 121992
SMILES:c1(O)cc(CCCCCC)cc2c1C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.168
InChIKey:OGQUFUKUTFQVAV-UHFFFAOYSA-N
ID: 121993
SMILES:CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 121994
SMILES:c1(CC=CC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.397
InChIKey:IHEIIGUBZCNNLE-UHFFFAOYSA-N
ID: 121995
SMILES:O1C(C)(C)C1CCc1cc2c(c(C)c1)CCC(C(O)(CCCC(C)(O)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -16.866
InChIKey:ONHYATGNEUDJEF-UHFFFAOYSA-N
ID: 121996
SMILES:C(=O)(CC1CC(C(C)C)C(c2c(O)c(CCCC)cc(O)c2)C=C1C)NC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 373.537
CB1 binding score: -13.35
InChIKey:RRSJYAJUZFSNSM-UHFFFAOYSA-N
ID: 121997
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 121998
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(C)ccc1C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.683
InChIKey:CHZNRNUFMLABEH-UHFFFAOYSA-N
ID: 121999
SMILES:C(CC=C)Cc1cc(O)c(C2C(C(C)=C)CC=C(C)C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.082
InChIKey:XNCMPPLAFZHMLL-UHFFFAOYSA-N
ID: 122000
SMILES:c1(O)c(CC=C(C)C(CC=C(C)C)O)c(O)cc(CCCCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -14.084
InChIKey:FPCLQMXDYWNTOK-UHFFFAOYSA-N
ID: 122001
SMILES:Oc1c2c(c(O)c(C(=C)C)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.689
InChIKey:CFDXQPCBAHYTFT-UHFFFAOYSA-N
ID: 122002
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 122003
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 122004
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1C(C=CC=C(C)C)(C)CC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -14.119
InChIKey:UHFGVNDKCHSWBV-UHFFFAOYSA-N
ID: 122005
SMILES:C1C2(C)CC3C(C(C)(C)Oc4cc(CCC)c(C)cc43)C2CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: -15.419
InChIKey:WKUKWKREHGFLLS-UHFFFAOYSA-N
ID: 122006
SMILES:c12c(OC)cc(OC)cc1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -19.627
InChIKey:UOSOIKNKNAWOMP-UHFFFAOYSA-N
ID: 122007
SMILES:C1(=O)C(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.334
InChIKey:JZWXCKUFXKBQJQ-UHFFFAOYSA-N
ID: 122008
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 122009
SMILES:C1(C)CC(C=C(C)C)C(c2cc(CCCC)cc(O)c2O)CC(C)=CC(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -11.539
InChIKey:LIZGAOAGRVLGLD-UHFFFAOYSA-N
ID: 122010
SMILES:O(c1cc(CCCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.077
InChIKey:ZIKXLTXYADKTKX-UHFFFAOYSA-N