ID: 95341
SMILES:c1(-c2c(O)cc(CCCCC)cc2O)c2c(c(CCCCC)cc1O)OC(C)(C)C1C2C=C(C(=O)O)C2CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.693
CB1 binding score: -15.56
InChIKey:YQIAIDKWQODFJR-UHFFFAOYSA-N
ID: 95342
SMILES:c1c(C2C(C(=C)C)C(c3c(OC(=O)C)cc(CCCCC)cc3O)C=C(C)CC2)c(OC)ccc1CCS(=O)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.803
CB1 binding score: -16.964
InChIKey:QRYOMYASWSRDNB-UHFFFAOYSA-N
ID: 95343
SMILES:CCCCCC(=O)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.888
InChIKey:FRFZLHWXMYTSHK-UHFFFAOYSA-N
ID: 95344
SMILES:C(C)(c1c2c(O)cc(CCCCC)c1)C(=O)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.008
InChIKey:CJUXYTWBWYTTNW-UHFFFAOYSA-N
ID: 95345
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC[N+](C(O)C)=C)c(O)c2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.556
CB1 binding score: -15.349
InChIKey:QHCOYDNHGNCHMI-UHFFFAOYSA-O
ID: 95346
SMILES:C(C)CCCc1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.304
InChIKey:GPQCLSARBZPCEI-UHFFFAOYSA-N
ID: 95347
SMILES:CC(=O)Oc1c2c(c(COC(=O)C)c(CC(C)OC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -15.071
InChIKey:BVYFXERANSEGSV-UHFFFAOYSA-N
ID: 95348
SMILES:C(c1c(O)cc(CCCCC)c(C(=O)O)c1O)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 95349
SMILES:CC(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.007
InChIKey:QWOGQDLYJIUGPH-UHFFFAOYSA-N
ID: 95350
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCC)c3)C1C=C(C(O)=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 95351
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC(OC(C)=O)C(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 95352
SMILES:C(=O)(CC)C(C1C2C(Oc3c2c(cc(CCCO)c3)OC1(C)C)C)OC(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.395
InChIKey:KPCGHUGYSGYKGH-UHFFFAOYSA-N
ID: 95353
SMILES:C1(c2c(OC(C)=O)cc(CCCCC)cc2O)CC2(C)CCC(C(CO)C)(O)C(C1C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.6
CB1 binding score: -14.652
InChIKey:RFFBUSRHUAFVOC-UHFFFAOYSA-N
ID: 95354
SMILES:CC1(C)Oc2c(c(O)c(CCCCC)cc2O)C2C1CCC1(C)C(O1)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.084
InChIKey:NVIVNRMFPNCXIA-UHFFFAOYSA-N
ID: 95355
SMILES:COc1c(C2C=C(COC(=O)C)CC2)ccc(CCN(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 317.429
CB1 binding score: -16.59
InChIKey:UIAKJNTWKYOOEE-UHFFFAOYSA-N
ID: 95356
SMILES:C(c1cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c(O)c1C(NCCc1ccccc1)=O)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 503.727
CB1 binding score: Not available
InChIKey:CWNZKNVSLQRTMD-UHFFFAOYSA-N
ID: 95357
SMILES:O1c2cc(CCCCC)c(C(=O)O)c(O)c2C(C)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.42
InChIKey:CPGSJESLGBZRBT-UHFFFAOYSA-N
ID: 95358
SMILES:O1C(C)C2c3c(c(C(=O)O)c(CCCCC)cc3O)OC(C)(C)C(CO)(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -12.209
InChIKey:MXNQOKRJMWQHCV-UHFFFAOYSA-N
ID: 95359
SMILES:CSCC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.509
CB1 binding score: -16.369
InChIKey:JDOWJUGCBHBPIN-UHFFFAOYSA-N
ID: 95360
SMILES:C1(CC=C(C=O)CC)C(C)(C)C2(C(C)(C)C(=O)C(O)=C2)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: Not available
InChIKey:VXTMVVBSKTUTTL-UHFFFAOYSA-N
ID: 95361
SMILES:C(Cc1cc2c(c(O)c1)C1C(CC=C(C)C)C(C)(O2)CC1)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.704
InChIKey:GSULDFIAOJTABL-UHFFFAOYSA-N