ID: 53047
SMILES:c12c(c(CCCCCC)cc(O)c1)OC(C)(C)C1CC=C(C)CC21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.754
InChIKey:GYZVJWWYEVCSBA-UHFFFAOYSA-N
ID: 53048
SMILES:O1C2c3c(O)cc(CCCCC)cc3OC2(C)C=CC1=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.478
InChIKey:PDBGSKGKOKKDPI-UHFFFAOYSA-N
ID: 53049
SMILES:C(=O)(C1=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 53050
SMILES:C1(CC=C(CCC=C(C)C)C)C(C)(C)CC(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.254
InChIKey:YRYIJRYRYXHTSD-UHFFFAOYSA-N
ID: 53051
SMILES:C(C)(C1CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -15.701
InChIKey:IPAODVCMAVTUBN-UHFFFAOYSA-N
ID: 53052
SMILES:C1C(C)C2=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.905
InChIKey:FVFMQMXPKRFKGU-UHFFFAOYSA-N
ID: 53053
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.128
InChIKey:PKPROKCCXXYXCL-UHFFFAOYSA-N
ID: 53054
SMILES:O=C(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(CC1)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.648
InChIKey:YSSBJXCWRHEGIW-UHFFFAOYSA-N
ID: 53055
SMILES:CC(C)=CCCC1(C)C=Cc2cc(O)cc(CCC)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.46
InChIKey:ZNOVGGKSHKBNFB-UHFFFAOYSA-N
ID: 53056
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.994
InChIKey:DSEWHWHSPHCHIJ-UHFFFAOYSA-N
ID: 53057
SMILES:C1(C)(C)C2C1c1c(c(O)cc(CCCCC)c1)C1C=C(COC(=O)C)CCC1C(C)(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.979
InChIKey:ZFQCNEAUEARVKH-UHFFFAOYSA-N
ID: 53058
SMILES:C1=C(C)C=CC2C(C)(C)Oc3c(cc(OC(C)=O)cc3)C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.773
InChIKey:UBRQASKVOMNKHH-UHFFFAOYSA-N
ID: 53059
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CC=C(COC(=O)C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -13.824
InChIKey:PGEJYRDUBZHOCN-UHFFFAOYSA-N
ID: 53060
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=C)C3CC2(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.124
InChIKey:DWOVVTKOCIMLLA-UHFFFAOYSA-N
ID: 53061
SMILES:Oc1cc(C)cc(O)c1C1C(C(CCC=C(C)CO)(C)O)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.175
InChIKey:UYPMPMAIORMDCS-UHFFFAOYSA-N
ID: 53062
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 53063
SMILES:C1(O)c2c(O)cc(CCCCC)cc2OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.934
InChIKey:MQAGGQVCIVDYIW-UHFFFAOYSA-N
ID: 53064
SMILES:C123c4c(cc(CCCS(C)=O)cc4)OC(C)(C)C1C(O2)CC1C3C(C)(CO)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.626
CB1 binding score: -12.65
InChIKey:HZIPGANFGNCKOE-UHFFFAOYSA-N
ID: 53065
SMILES:CC1(CC=CC(C)(O)CCC(C(C)(C)O)O)C(Cc2cc(O)ccc2O)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -13.359
InChIKey:OMYVPTSWLKBIDK-UHFFFAOYSA-N
ID: 53066
SMILES:C(=CCCC(CO)=CCc1c(O)c(O)ccc1C1C2C(=O)OC(C)(C)C2CC=C1C(=O)O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.6
CB1 binding score: -12.695
InChIKey:NFHLQHYDYNQYLV-UHFFFAOYSA-N
ID: 53067
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.467
InChIKey:TVERKJMGSVKUPT-UHFFFAOYSA-N