ID: 39019
SMILES:C123CCC(O)(OC1)C(C)(C)C2C1C(c2c(O)cc(CCC)cc2O1)OC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -10.688
InChIKey:AJTJCSXQERXJTG-UHFFFAOYSA-N
ID: 39020
SMILES:C(CC1(C)Oc2cc(C)cc(O)c2C2(C1C=O)CCC=C(C)C2)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -12.84
InChIKey:XXEFMGSROSPPQS-UHFFFAOYSA-N
ID: 39021
SMILES:C12C(C(C)C)CCC3(C)Oc4cc(C)c(cc42)CCC1(C)Oc1cc(CCCCC)cc(C(OC)=O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.711
CB1 binding score: -15.664
InChIKey:XXMJGDHZNLSZKT-UHFFFAOYSA-N
ID: 39022
SMILES:C(CCC)Cc1c2c(cc(C(O)C(C)O)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.146
InChIKey:AVXDPQMHQDZBTH-UHFFFAOYSA-N
ID: 39023
SMILES:O=C1c2c(cc(CCCCC)cc2OC)OC12CCC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.588
InChIKey:WCZIFAXCAFLJEM-UHFFFAOYSA-N
ID: 39024
SMILES:C1C(CO)=CCC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.527
InChIKey:SLCFQSAUBIXISW-UHFFFAOYSA-N
ID: 39025
SMILES:c1(O)c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 39026
SMILES:c1(O)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 39027
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 39028
SMILES:O1c2cc(CCCCC)cc(O)c2C(CC=C(CCC=C(C)C)C)C1C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.585
InChIKey:LGDCTLKYGCDQHY-UHFFFAOYSA-N
ID: 39029
SMILES:C(c1c(O)c2c(c(CO)c1OC)OC(C)(C)C1CCC(C)=CC21)C=CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.999
InChIKey:GNJLIIQQCQZNQG-UHFFFAOYSA-N
ID: 39030
SMILES:Cc1cc2c(c(O)c1)C1C(C(O)CC(O)(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.581
InChIKey:CZENAXPGHGOFEA-UHFFFAOYSA-N
ID: 39031
SMILES:c1c(C)cc2c(c1OC)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.471
InChIKey:GZQJHIWXZCYIDJ-UHFFFAOYSA-N
ID: 39032
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 39033
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: 39034
SMILES:CC1(C=CC=C(C)C)Oc2cc(CCCC)cc(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.808
InChIKey:SKNNHTWFFBEBRV-UHFFFAOYSA-N
ID: 39035
SMILES:CC(CC(=O)CC(C)C)C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.695
CB1 binding score: -15.738
InChIKey:GKQCTNOMLSEYGQ-UHFFFAOYSA-N
ID: 39036
SMILES:C12(Oc3c4c(cc(CCCCC)c3)OC(C)(C)C3CCC(C)=CC14)C(OC)C(CCC(C)C)(O2)OC3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -11.91
InChIKey:ARUUSDNZMBQZPJ-UHFFFAOYSA-N
ID: 39037
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 39038
SMILES:O(C1C(O)(C)CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)C(C(CCCCCCCc1ccccc1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.834
CB1 binding score: -15.519
InChIKey:MRELBFJBGPLVCG-UHFFFAOYSA-N
ID: 39039
SMILES:c1(OC)c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.277
InChIKey:WJABVLUXMBMMIO-UHFFFAOYSA-N