ID: 50989
SMILES:c1(O)c2c(cc(O)c1CC=C(CCC=C(C)C)C)OC(C)(C)C1C2CC(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.506
InChIKey:WJYZFMMQVUPZBT-UHFFFAOYSA-N
ID: 50990
SMILES:CC1(C)C2C1C1c3c(cc(CCCCC)cc3O1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.99
InChIKey:WMZDLFDRZDZAER-UHFFFAOYSA-N
ID: 50991
SMILES:C1CC(C)C2C(c3c(O)cc(CCCCC#N)cc31)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.48
CB1 binding score: -13.532
InChIKey:KJGQSBLCBAHHPK-UHFFFAOYSA-N
ID: 50992
SMILES:C1(C(C)C)C=CC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.216
InChIKey:AOOBOQLXJOFYIO-UHFFFAOYSA-N
ID: 50993
SMILES:O(C(c1ccc2c(c1CCCC(O)C)OC(C)(C)C1CCC(C)CC21)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.605
InChIKey:CIZXOYOIKNJUOC-UHFFFAOYSA-N
ID: 50994
SMILES:Cc1cc2c(cc1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N
ID: 50995
SMILES:C1C(C)C2C3(C(C)CC2)C(c2c(cc(CCCCC)c(C(=O)O)c2O)O3)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.436
InChIKey:SSAIXMAHMCSZMN-UHFFFAOYSA-N
ID: 50996
SMILES:C(CCCC(O)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.703
InChIKey:USLTWXPGIBHADY-UHFFFAOYSA-N
ID: 50997
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C(CCC(C)=CCC1)C(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.499
InChIKey:CSHKAPNCVIKBSQ-UHFFFAOYSA-N
ID: 50998
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.165
InChIKey:VBYUZBSQYMNTJZ-UHFFFAOYSA-N
ID: 50999
SMILES:c12c(CCCC)cc3c(c1O)C2C(C(C)=C)CCC3C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.7
InChIKey:DJIAAXHNLDTWJZ-UHFFFAOYSA-N
ID: 51000
SMILES:C=C(C)c1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.142
InChIKey:FMVMIWHBUNSUCQ-UHFFFAOYSA-N
ID: 51001
SMILES:C1=CC(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C(O)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.024
InChIKey:AGGTZODZHXXJOJ-UHFFFAOYSA-N
ID: 51002
SMILES:CC1C2(Oc3c(c(O)cc(CCCCC)c3)C2O)C(C)(C)C=CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.68
InChIKey:DGUJQEOKZVXIGE-UHFFFAOYSA-N
ID: 51003
SMILES:c1c2c(c(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.291
InChIKey:FFUWPSOUQRLGHT-UHFFFAOYSA-N
ID: 51004
SMILES:c1(O)cc(CCCCC)c(C(OC)=O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.521
CB1 binding score: -19.567
InChIKey:RSOBBJCWWQRAAM-UHFFFAOYSA-N
ID: 51005
SMILES:COc1c(O)c2c3c4c(c2=O)OC(C)(C)C(C31)CC=C(C)CCCC(C)(CC2C(C)(C)OC(C)(C)C1O4)OC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.697
CB1 binding score: -12.698
InChIKey:YCQDEBFREPYICA-UHFFFAOYSA-N
ID: 51006
SMILES:c12c([P+](O)(O)OC3C4C(C)(C)C3CCC4(C)Oc3cc(CCCCC)cc(O)c3C1O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.531
CB1 binding score: -15.85
InChIKey:DPKDACYNAPLRBJ-UHFFFAOYSA-O
ID: 51007
SMILES:C(=CCCC)C(=O)OC1C(C)=CC2C(C1)C(C)(C)Oc1c2c(OC)cc(O)c1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.164
InChIKey:HABPVUDYJWQWGD-UHFFFAOYSA-N
ID: 51008
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 51009
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2)CC(C)=CCCC(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -14.041
InChIKey:BSOCDINSTRKTKU-UHFFFAOYSA-N