ID: 80578
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.604
InChIKey:AUPXTHSHVYGTBU-UHFFFAOYSA-N
ID: 80579
SMILES:Oc1c2c(cc(C)c1C)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.013
InChIKey:DEGYYXYGWUPDSH-UHFFFAOYSA-N
ID: 80580
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 80581
SMILES:Oc1c2c(c3c(c1CN(C)CCCC)CC(O)C3=C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.586
CB1 binding score: -14.216
InChIKey:AXQFGZFLDIILNA-UHFFFAOYSA-N
ID: 80582
SMILES:C(C(O)(C)C(OCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.607
InChIKey:ZVFTUNFONDVMGU-UHFFFAOYSA-N
ID: 80583
SMILES:CCCCCc1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.247
InChIKey:IJXLDZIYGDHKBA-UHFFFAOYSA-N
ID: 80584
SMILES:c1(C(=NCCS(=O)(O)=O)O)c(CCCCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.596
CB1 binding score: -14.365
InChIKey:IFECTCKXWMUASL-UHFFFAOYSA-N
ID: 80585
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 80586
SMILES:CC(c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C(=O)O)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -11.429
InChIKey:GQJGIBAQYHJHEY-UHFFFAOYSA-N
ID: 80587
SMILES:C(CC=C(C)CC(C=C(C)C)=O)C1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.002
InChIKey:JUUBMHCEYRRTIL-UHFFFAOYSA-N
ID: 80588
SMILES:C=C1C(CCC(=CC2c3c(cc(CCC)cc3O)O2)C)C(C)(C)C(OC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.587
InChIKey:HNEKXXOOOVCYGI-UHFFFAOYSA-N
ID: 80589
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCCC)cc(O)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.337
InChIKey:JJYHSXSIHONAGF-UHFFFAOYSA-N
ID: 80590
SMILES:CCCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 80591
SMILES:C(=CCCCCCCCCCCCCCC)CCc1cc2c(c(OO)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.803
CB1 binding score: -16.003
InChIKey:FOVUFLVQLRBRTL-UHFFFAOYSA-N
ID: 80592
SMILES:c12c(cccc1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.488
InChIKey:FXKRYASJSKNWGO-UHFFFAOYSA-N
ID: 80593
SMILES:CC(CCCC(=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)C)C(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -16.813
InChIKey:DLZGRUVEDPFZEJ-UHFFFAOYSA-N
ID: 80594
SMILES:C(Oc1c2c(c(C(CCc3ccccc3)=O)cc1)OC(C)(C)C1CCC(C)=CC12)(C)CCCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -15.112
InChIKey:CTDLNSQNIUFMPJ-UHFFFAOYSA-N
ID: 80595
SMILES:C(CCC(C)=CCc1c(O)c2c(cc1O)OC(C)(C)C1C2C(C)(O)CC1)C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.332
InChIKey:FGELSGMTXAXVRJ-UHFFFAOYSA-N
ID: 80596
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)ccc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 80597
SMILES:c12c(cc(CCCCC)c(CCC(O)CC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.068
InChIKey:XQDFUZNMCUBADA-UHFFFAOYSA-N
ID: 80598
SMILES:C(CCCCC)C(C1(C)C(Cc2cc(O)c(CC=C(C)C)c(O)c2)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.925
InChIKey:YYNISRVACNAFOE-UHFFFAOYSA-N