ID: 123439
SMILES:c1c(C)c2c(cc1O)C1C(C)(O2)OCC(C)=CCCC(=C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.324
InChIKey:UVDXPRGPFIQVHF-UHFFFAOYSA-N
ID: 123440
SMILES:O=C1CCC(C)=CC2c3c(O)cc(CCCCC)cc3OC2(C)CC2OC(=O)C(=C)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -13.981
InChIKey:ALLRJSMFFHZYKD-UHFFFAOYSA-N
ID: 123441
SMILES:Oc1c(C(CC2=C(C)CCCC2(C)C)=O)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.217
InChIKey:MFWSLDHOVIVAHE-UHFFFAOYSA-N
ID: 123442
SMILES:c1c(OC)c(O)cc2c1-c1cc(C)cc(O)c1C(=O)C(CC=C(CCC=C(C)C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -14.767
InChIKey:OEQGQSRTKLURNT-UHFFFAOYSA-N
ID: 123443
SMILES:C(c1c(C=O)c(OC)c(O)c(O)c1C1C=C(C)CCC1C(C)=C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.196
InChIKey:IDEYQZYGLPSRBC-UHFFFAOYSA-N
ID: 123444
SMILES:CC1COc2cc(CCCCCOC(C)=O)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -16.735
InChIKey:APRZLHGEEMTWKY-UHFFFAOYSA-N
ID: 123445
SMILES:C(Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.939
InChIKey:WHHVQTKZKXTIGX-UHFFFAOYSA-N
ID: 123446
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C(=O)C=CC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.393
InChIKey:JEXJXATWXUWDQD-UHFFFAOYSA-N
ID: 123447
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.957
InChIKey:JJBMVXFZSLTKCL-UHFFFAOYSA-N
ID: 123448
SMILES:O=C1CC2C(C)(C)Oc3cc(C)c(Br)cc3C2C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -16.756
InChIKey:VHPWPEQOMFWESI-UHFFFAOYSA-N
ID: 123449
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 123450
SMILES:COc1cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.99
InChIKey:JIAMDLHQCKSETM-UHFFFAOYSA-N
ID: 123451
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 123452
SMILES:C1(C)=CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.431
InChIKey:KZYODFMDQAJHGX-UHFFFAOYSA-N
ID: 123453
SMILES:CC(C1CC(OC(C)=O)C(C)=CC1c1c(O)cc(CCCCC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.2
InChIKey:FKJSCTJNJPNBIS-UHFFFAOYSA-N
ID: 123454
SMILES:CC12C=CC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -14.281
InChIKey:SNDQFALLKUIFMI-UHFFFAOYSA-N
ID: 123455
SMILES:Oc1c(C2C=C(C)CCC2C(=C)C)ccc(CCN(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.458
CB1 binding score: -16.653
InChIKey:BWFYWNBXDAQNNZ-UHFFFAOYSA-N
ID: 123456
SMILES:C1CCC(C)(C(CC(CC(=CCc2c(O)c(C)cc(O)c2)C)=O)C)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -17.213
InChIKey:BGWLFMKOIPXYFU-UHFFFAOYSA-N
ID: 123457
SMILES:OC(C)(C1CCC(C)=CC1c1c(O)cc(CCCC(=O)C(CCCCCC)C)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.656
CB1 binding score: -14.354
InChIKey:QNILWBBKXHWOOH-UHFFFAOYSA-N
ID: 123458
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123459
SMILES:C(c1cc(O)c(C)c(C2CC(O)C(C(C(CC=C(C)C)O)C)OC2=O)c1)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.414
InChIKey:XECBMOPIVNXJKX-UHFFFAOYSA-N