ID: 101200
SMILES:C1CC(C)(OC(C)=O)C2Oc3c(O)cc(CCCCC)cc3C2C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.409
InChIKey:RJDZNHFQCWTQBZ-UHFFFAOYSA-N
ID: 101201
SMILES:C1(O)C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 101202
SMILES:O=C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)C(C=C(C)C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.461
InChIKey:ZIXYXBIUJUPRJM-UHFFFAOYSA-N
ID: 101203
SMILES:c1c(CCCO)c(C=O)cc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.288
InChIKey:PXYUEVVNFOUJSI-UHFFFAOYSA-N
ID: 101204
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.046
InChIKey:UECUNLJHUBNWSC-UHFFFAOYSA-N
ID: 101205
SMILES:C12=CC(O)(C)C(C)C1c1c(cc(CCCCC)cc1O)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.239
InChIKey:GJIKNSJKNIWWGD-UHFFFAOYSA-N
ID: 101206
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.945
InChIKey:BMHWBDFIQAZUEO-UHFFFAOYSA-N
ID: 101207
SMILES:C(Oc1cc2c(c(COC(=O)CCCCCC)c1)OC(C)(C)CC2)(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.98
InChIKey:DRYILNQGHYZODR-UHFFFAOYSA-N
ID: 101208
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 101209
SMILES:C12c3c(O)cc(CCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 101210
SMILES:CC1(C)Oc2cc(CCC)cc(O)c2C2C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.354
InChIKey:RZYBIGRPBABGFF-UHFFFAOYSA-N
ID: 101211
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 101212
SMILES:C(CCC1(C)Oc2cc(C)cc(O)c2CC1)(O)(C=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.022
InChIKey:VWSCVPSLLJGQDB-UHFFFAOYSA-N
ID: 101213
SMILES:CC(C12CCC(C)(CC1)O2)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.144
InChIKey:ZJYUIDGCFCPINN-UHFFFAOYSA-N
ID: 101214
SMILES:C1C(C(C)C)C(=O)C(C(=C)C)C(c2cc(CCCCC)ccc2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -13.522
InChIKey:BMCVMOUVUOMKIQ-UHFFFAOYSA-N
ID: 101215
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.616
InChIKey:XADHVNDJRGVZCL-UHFFFAOYSA-N
ID: 101216
SMILES:C1(c2cc(O)c(Cl)cc2OC=O)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.789
CB1 binding score: -14.605
InChIKey:UHZKTGKMCDWYPF-UHFFFAOYSA-N
ID: 101217
SMILES:C(CC)CCCCc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c2c1C1C(C(C)=CC=C1)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -15.12
InChIKey:OKEGEMZBEPDIDO-UHFFFAOYSA-N
ID: 101218
SMILES:c1(CC=C(C)C)c(O)cc(CCCCC)c(C(=O)CCC(C)(O)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: Not available
InChIKey:CMHFKHVFZVWVNO-UHFFFAOYSA-N
ID: 101219
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCC)cc(O)c32)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 101220
SMILES:c1c(OC)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -20.527
InChIKey:OMIDBQNIZTZCJZ-UHFFFAOYSA-N