ID: 50296
SMILES:C(C)CCc1cc2c(c(O)c1)C1OC(=O)C3(CC1)CC(=O)C(C3(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.141
InChIKey:OOXKIXLAGDQSPQ-UHFFFAOYSA-N
ID: 50297
SMILES:C(C)(O)(C1(OC)CCC(C)=CC1c1ccc(CCCCC)c(C#CC(=C)C)c1)C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -12.391
InChIKey:HMDWMARITRXECA-UHFFFAOYSA-N
ID: 50298
SMILES:c1(O)cc(OC)c2c(c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.966
InChIKey:BKFFPWPQSQKIDM-UHFFFAOYSA-N
ID: 50299
SMILES:CC1=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 50300
SMILES:C1(=C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.978
InChIKey:ZCVYXVHFOBOOMS-UHFFFAOYSA-N
ID: 50301
SMILES:c1(=O)occ(C)c2c1-c1c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -16.356
InChIKey:SHGATUNVEGGZLC-UHFFFAOYSA-N
ID: 50302
SMILES:c12c(cc(C)cc1O)OC(CC1OC(C)(C)C=C1)(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -11.722
InChIKey:XRGUMTCENGXRGV-UHFFFAOYSA-N
ID: 50303
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50304
SMILES:O1C2C(c3cc(C(=O)O)c(CCCCC)cc3O)CC1(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.325
InChIKey:QDSPNHJASNWKPS-UHFFFAOYSA-N
ID: 50305
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 50306
SMILES:C(Cc1cccnc1)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 377.528
CB1 binding score: -13.552
InChIKey:CKKSVWFITXYSCE-UHFFFAOYSA-N
ID: 50307
SMILES:O1c2c(cc(O)c3c2OC(C)(C)C2CCC(C)=CC23)C(OC)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.924
InChIKey:DARZXLFBHZCNLX-UHFFFAOYSA-N
ID: 50308
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 50309
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)C1CC=C(C)CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.942
InChIKey:SSVCRBPXOIXWNN-UHFFFAOYSA-N
ID: 50310
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(C(C)=O)c(O)c(C)c32)CC1)(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.083
InChIKey:MXHXQRPDBYFDNK-UHFFFAOYSA-N
ID: 50311
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -15.078
InChIKey:OLVXNJQWFOBISI-UHFFFAOYSA-N
ID: 50312
SMILES:C1=CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 50313
SMILES:CC1=CCCC2C1(Cc1c(OC(C)=O)c(O)cc(CCCCC)c1)C(C)(C)C(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.547
InChIKey:JISUQUYCCJOYSI-UHFFFAOYSA-N
ID: 50314
SMILES:C(C)CCCc1c(C(O)=O)c(O)c(O)c2c1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -14.337
InChIKey:VMORMKGPWRGXBF-UHFFFAOYSA-N
ID: 50315
SMILES:C(C1(C)C2C(=O)C=C(C)CC2c2c(OC)cc(CCC)cc2O1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.941
InChIKey:MQVCPLOQCGDJPQ-UHFFFAOYSA-N
ID: 50316
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)OC(C)(C)C2CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.733
InChIKey:GGICMVPIIXSVHU-UHFFFAOYSA-N