ID: 50275
SMILES:CC1CCC(C)(C(=O)O)C2C(C(=O)C(C)C)c3c(cc(CCCCC)cc3O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.519
InChIKey:QSIAABNDEWNLDM-UHFFFAOYSA-N
ID: 50276
SMILES:C12CCC(COO)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.514
InChIKey:URZDANBMTJQNBW-UHFFFAOYSA-N
ID: 50277
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.959
InChIKey:OKHJOYRJVSKNIX-UHFFFAOYSA-N
ID: 50278
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 50279
SMILES:O(C)c1c(C2(C)CCC3C2C3(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.405
InChIKey:ONQBTSFJVRSAMU-UHFFFAOYSA-N
ID: 50280
SMILES:C1(Cc2c(O)cc(CCCCC)c(OC)c2)C(C)(O)CCC2C1(C)CCC(=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -16.026
InChIKey:NBFVGOMISKEQQD-UHFFFAOYSA-N
ID: 50281
SMILES:C(C)(C)Oc1c(O)c(OC(C)=O)c2c(c1CC=C(C)C)OC(C)(C)C1C2CC(C)C(OC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.621
CB1 binding score: -12.258
InChIKey:HOLXMDUEGGYHPQ-UHFFFAOYSA-N
ID: 50282
SMILES:c12cc(O)c(O)cc1OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.929
InChIKey:JUQLNGNEXVEECA-UHFFFAOYSA-N
ID: 50283
SMILES:C(CCCc1cc2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.327
InChIKey:BNEATZYGLQXNJV-UHFFFAOYSA-N
ID: 50284
SMILES:c1c(CCCCC)cc2c(c1O)OC(CCC1=C(C)CCC(=O)C1(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.694
InChIKey:IFIZUCSURKWWCW-UHFFFAOYSA-N
ID: 50285
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.332
InChIKey:XZWKSKOUODSSCT-UHFFFAOYSA-N
ID: 50286
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.488
InChIKey:DRBOYSNODSSITK-UHFFFAOYSA-N
ID: 50287
SMILES:c12c(c(CCCCC)cc(O)c1CC=C(C)C)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.884
InChIKey:PLSFBMNWBVAUAC-UHFFFAOYSA-N
ID: 50288
SMILES:c1(C(=O)O)cc(O)c2c(c1C=O)OC(C)(C)C1CC=C(C)CCC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -11.098
InChIKey:ATWIZGOGMUNDEA-UHFFFAOYSA-N
ID: 50289
SMILES:C(O)(=O)c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -19.487
InChIKey:BUCRJAYMJBXTKD-UHFFFAOYSA-N
ID: 50290
SMILES:C(C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)C(=O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.971
InChIKey:ZBNFBEZCFKBAGI-UHFFFAOYSA-N
ID: 50291
SMILES:C(CC(C)CCCC(O)(C)C)(Oc1c(CC(C)C)cc(C=O)c2c1OC(C)(C)C1C2C=C(C)CC1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.775
CB1 binding score: -15.393
InChIKey:NXJZVCIFAAUMEQ-UHFFFAOYSA-N
ID: 50292
SMILES:c1(CCCC)cc(O)c2c(c1C(=O)CC(C)O)OC13C(=O)C4(C(O)(C(C)(C)C(C(C)=C)C4)CC21C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: Not available
InChIKey:DAAHGBNGIUXEHN-UHFFFAOYSA-N
ID: 50293
SMILES:C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C1CCC(C)=CC12)(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.723
InChIKey:BILPQXZGIKRZSR-UHFFFAOYSA-N
ID: 50294
SMILES:C1(OC(=O)C)C(C)=CCCC(=C)C2C(CC1C(C)(O)C)Oc1cc(CCCCC)cc(OC(=O)C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -13.798
InChIKey:DXUYKGFISRJETN-UHFFFAOYSA-N
ID: 50295
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CCC(C=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.671
InChIKey:UWIDZNKDSNBKIF-UHFFFAOYSA-N