ID: 84316
SMILES:C1(C)(O)CCC(C(C)=C)C1c1c(O)c(-c2ccc(C)cc2)c(CCCCC)c(C(=O)CC(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -14.961
InChIKey:LDSIQEDONVCELJ-UHFFFAOYSA-N
ID: 84317
SMILES:C(C)CCc1cc2c(c(O)c1)C1C(O)(CC=C2C)C(C)CCC1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 356.55
CB1 binding score: -16.727
InChIKey:ZGRJHOSOOUZZGB-UHFFFAOYSA-N
ID: 84318
SMILES:Oc1cc(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: 84319
SMILES:CC(=CCCC(=CCc1c(O)cc(CCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 84320
SMILES:Oc1cc(CCCC)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.879
InChIKey:IXZUQKJFDLWXNQ-UHFFFAOYSA-N
ID: 84321
SMILES:C(C1=Cc2c(cc(C)c(OC)c2)C(C(C)C)C1)(=O)Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: Not available
InChIKey:QMBBRNOODVTCRH-UHFFFAOYSA-N
ID: 84322
SMILES:c1c(OC)cc(OC)c2c1C1C=C(CO)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.977
InChIKey:QETKVXOWHGJKNX-UHFFFAOYSA-N
ID: 84323
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 84324
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: 84325
SMILES:c12cc(CCCCC)cc(O)c1C1OC(=O)C(C)C2CCC1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.986
InChIKey:JZPYBAPIOLMHGU-UHFFFAOYSA-N
ID: 84326
SMILES:C1C=C(C)CC2C(C(C)(C)Oc3cc(C)c(O)cc32)C1C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.327
InChIKey:AWBPBTLPPWKRFR-UHFFFAOYSA-N
ID: 84327
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 84328
SMILES:O(C(C(C)C)=O)CC1=CC2C(CC1)C(C)(C)Oc1c2c(=O)oc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -12.246
InChIKey:AIXYHZCPYUTDDW-UHFFFAOYSA-N
ID: 84329
SMILES:Oc1c(CCCCC)c(C(=O)O)c(O)c(CC23OC2(C)CCC2C(C)(C)C2C3)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.727
InChIKey:PJGYGBBTZMEHFS-UHFFFAOYSA-N
ID: 84330
SMILES:O1c2cc(CCCCC)c(OS(O)(=O)=O)c(C(C)CC)c2CCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.538
CB1 binding score: -16.363
InChIKey:CTOMAOTZFBFFIB-UHFFFAOYSA-N
ID: 84331
SMILES:C1C=C(C)CCC2C(C)(Oc3cc(CCCCC)c(O)c(O)c31)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.076
InChIKey:AMKFHLFAVHWAAT-UHFFFAOYSA-N
ID: 84332
SMILES:C1C2C(C)(CCC=C(C)C)Oc3c(c(O)cc(CCCCC)c3)C2(O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.732
InChIKey:CVZHILKKWBENGG-UHFFFAOYSA-N
ID: 84333
SMILES:C1(C)(C)C(=O)C2C(C1)C(C)(C)Oc1c2ccc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.335
InChIKey:VBBXXWRJGTWRTB-UHFFFAOYSA-N
ID: 84334
SMILES:CC(CCC(O)C(C)(C)O)=CCCC1(C)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -17.792
InChIKey:IYHHISBMYUVEMX-UHFFFAOYSA-N
ID: 84335
SMILES:C1CCC2(C)CC3C(O)(CC2(C)Oc2c3c(O)cc(CCCCC)c2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.648
InChIKey:CEAHBTDXEGAZNP-UHFFFAOYSA-N
ID: 84336
SMILES:C(C)(CCCCC)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -13.886
InChIKey:DKOQUUXUFUMGDQ-UHFFFAOYSA-N