ID: 93325
SMILES:C(=O)(C)CCC(O)C1c2c(O)cc(CCCCC)cc2OC2(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.805
InChIKey:XOWQMBUNUHFKPE-UHFFFAOYSA-N
ID: 93326
SMILES:CC(C)=CCC(O)C1(C)C(O)CCC2(C)Oc3cc(CCCC)c(C(OC)=O)cc3CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -14.402
InChIKey:JQMCUSVYGKGRKG-UHFFFAOYSA-N
ID: 93327
SMILES:O(c1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N
ID: 93328
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 93329
SMILES:C1(C)=CC(c2c(O)ccc(CCN(C)C)c2)C(C(C)=C)CC1CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.55
CB1 binding score: -13.755
InChIKey:XBCHSQNDKHNTBG-UHFFFAOYSA-N
ID: 93330
SMILES:CC12C(CC(C3(C)CO3)C1O)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.65
InChIKey:XWAKROKRPJRLNE-UHFFFAOYSA-N
ID: 93331
SMILES:c1c(CCCCC)cc(O)c2c1OC1C(O)(C(C)(C)C2=O)C(C)CCC(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.929
InChIKey:ULMQJECLFOAZFJ-UHFFFAOYSA-N
ID: 93332
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 93333
SMILES:CC(=CC)C(=O)OCc1c2c(cc(OC)c1O)OC(c1cc(O)c3c(c1)OC(C)(C)C1CCC(C)=CC31)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.632
CB1 binding score: -15.508
InChIKey:KQUOCHLIBLLCKH-UHFFFAOYSA-N
ID: 93334
SMILES:c1(CCC(=C)CCCC)cc(OC)c(C2C(C(C)=C)CC=C(C)C2O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: Not available
InChIKey:RVHMVHUOTKJPQZ-UHFFFAOYSA-N
ID: 93335
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC(O)C(C)=C1)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.713
InChIKey:CEXNLESUSAJFNH-UHFFFAOYSA-N
ID: 93336
SMILES:C(C=C(C)C)#CC(C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -12.581
InChIKey:KTCONCHAVHYAGP-UHFFFAOYSA-N
ID: 93337
SMILES:Cc1c(CCCCCC)cc2c(c1O)C1C(=O)C3(C(=O)C(C)(C4(O)C=C(C)C(C)(C)C34)C1)C(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.239
InChIKey:IZMKZWHCMGOYJI-UHFFFAOYSA-N
ID: 93338
SMILES:Oc1c2c(c(C)c(C(C)(C=C)C)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.774
InChIKey:NPAWKBXWSQEIDN-UHFFFAOYSA-N
ID: 93339
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 93340
SMILES:C1C2(C(C)C)Oc3c(c(OC)cc(CCCCC)c3)C3C2(C(C)C1)C(C)=CCC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.19
InChIKey:BGKQQLILNYIMIM-UHFFFAOYSA-N
ID: 93341
SMILES:c12cc(CCCCC)cc3c1C1C(C(C)(CCCC1(C)C)C2)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -12.375
InChIKey:AUBKYSSGKGXFKT-UHFFFAOYSA-N
ID: 93342
SMILES:C1=C(C)CC2C(C(=O)C1)c1c(C)cccc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.035
InChIKey:GGVOCSSDYHEDHO-UHFFFAOYSA-N
ID: 93343
SMILES:OC(C(C)(O)C)CCc1cc2c(c(O)c1)C1C(CCC(C)(C)O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -13.004
InChIKey:BEMKCQLRJMGJJR-UHFFFAOYSA-N
ID: 93344
SMILES:C(=O)(CC(C)(C)O)C(CC(C)C)c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.43
InChIKey:PZLLLKOYEMMWJP-UHFFFAOYSA-N
ID: 93345
SMILES:C12C(=C)C(O)CC13C(C)(CO)C(C3)Oc1cc(C(CCC)OC(C)=O)c(C)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -13.756
InChIKey:JBPCFAOKDGLRAU-UHFFFAOYSA-N