ID: 47251
SMILES:C1C2C(C)C(=O)OC2C2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(C)(C1O)CCC3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -14.518
InChIKey:BQGHSWUALSZPKL-UHFFFAOYSA-N
ID: 47252
SMILES:Oc1cc(CCCC)cc2c1C1CC(C)(CC3C4(C)C(C(O)(C)CCC4O)CC(C)(C)C3)oc1c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -12.882
InChIKey:JDIWUHANQQCBDQ-UHFFFAOYSA-N
ID: 47253
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C(C(=O)C(C)(C)O1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -13.395
InChIKey:XUMQOWMRVSIPAN-UHFFFAOYSA-N
ID: 47254
SMILES:c1cc(O)c2c(c1C(=O)CC(C)C)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.05
InChIKey:YFGVCGREDFHFNA-UHFFFAOYSA-N
ID: 47255
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C(O)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 47256
SMILES:C(CC)Cc1c(O)c(C2C(C(C)=C)CC=C(C)C2)c(O)c(C2CC(C(C)=C)Cc3c(C(O)=O)c(C)ccc32)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.733
CB1 binding score: -16.818
InChIKey:PBSWQJZZTCLNDH-UHFFFAOYSA-N
ID: 47257
SMILES:C1(c2cc(CCCC(O)C)ccc2)(C(=C)C)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.756
InChIKey:RQHFGKUGZYYMJO-UHFFFAOYSA-N
ID: 47258
SMILES:C1=C(C)C(C)CC2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.744
InChIKey:IRSFNRYCIAMDFJ-UHFFFAOYSA-N
ID: 47259
SMILES:C(C)CCc1cc(O)c2c(c1)OC1(C)C(C2)C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 302.458
CB1 binding score: -17.684
InChIKey:SQNFBZBGPYOMLU-UHFFFAOYSA-N
ID: 47260
SMILES:OC1CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.66
InChIKey:WYDRPKVCYPIHAA-UHFFFAOYSA-N
ID: 47261
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: 47262
SMILES:CC1(C)C2C(C(C)=CC1O)Cc1c(cc(CCCCC)c(C(O)=O)c1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.239
InChIKey:RIGMYNAMJHICFR-UHFFFAOYSA-N
ID: 47263
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C2CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.912
InChIKey:ICKLEZDNADXJLW-UHFFFAOYSA-N
ID: 47264
SMILES:CC(Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.523
InChIKey:CXEGXXQEGWSHEO-UHFFFAOYSA-N
ID: 47265
SMILES:C(CCCC)c1cc2c(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: 47266
SMILES:O1c2c(c(O)cc(CCCCC#C)c2)CC(C(C)=C)CC1C=CC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -13.763
InChIKey:BTMQRCIVSAAUEG-UHFFFAOYSA-N
ID: 47267
SMILES:C1(OC(c2ccc(OC)cc2)=O)C(O)C(O)C(CO)OC1Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C(C2)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 644.758
CB1 binding score: -14.997
InChIKey:BINSHWJIABCWOO-UHFFFAOYSA-N
ID: 47268
SMILES:C1(C)CCC(C(=O)C)C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.519
InChIKey:ALIIEDSKLSLHDF-UHFFFAOYSA-N
ID: 47269
SMILES:CCCCCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 47270
SMILES:O=CC1=CC2C(CC1)C(C)(C)Oc1cc(C)c(C(O)=O)c(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.353
CB1 binding score: -15.506
InChIKey:OZABPMJUSOGRKB-UHFFFAOYSA-N
ID: 47271
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(OC(C)=O)cc(CCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.548
InChIKey:YIRFFZKTWADVGS-UHFFFAOYSA-N