ID: 90721
SMILES:O1c2cc(CCCC(O)C)cc(O)c2C2C(C(=C)C)CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.6
InChIKey:RSWQVRGXYWSSFM-UHFFFAOYSA-N
ID: 90722
SMILES:C(C1C2Cc3c(c(O)c(O)cc3C(O)COC)OC2(C)CC1)(C(C=CC(C)(O)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.529
CB1 binding score: -14.493
InChIKey:CANLNVPQQGDPQI-UHFFFAOYSA-N
ID: 90723
SMILES:C1(C)=CC(c2c(O)ccc(C(CC=C(C)C)c2)C#N)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.491
CB1 binding score: -15.155
InChIKey:KCXQCFDQBNAYKU-UHFFFAOYSA-N
ID: 90724
SMILES:C(C(CCC1OC1(C)C)C)CCC(C)=CCc1cc(O)c(C)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.239
InChIKey:AVWGIRIALRYXOJ-UHFFFAOYSA-N
ID: 90725
SMILES:C(c1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)CC3C(C)(O)CC12)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.149
InChIKey:BGLZZSBBLHQJRY-UHFFFAOYSA-N
ID: 90726
SMILES:C(CCCC(N)Cc1cc(O)c(C2C=C(C)CC(c3cc(CCN(C)C)ccc3OC)C2C(C)=C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.785
CB1 binding score: -13.66
InChIKey:JFRMZDAXONZAMC-UHFFFAOYSA-N
ID: 90727
SMILES:c1(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 90728
SMILES:C1(C)(O)CCC(C(=C)C)C1c1c(O)cc(CCCCC[N+](C)(C)CC(=NCC(C)O)O)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 477.666
CB1 binding score: -16.438
InChIKey:KLMKKEQFNJYZPC-UHFFFAOYSA-O
ID: 90729
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.567
CB1 binding score: -16.806
InChIKey:OSSDTNBXGZKRSH-UHFFFAOYSA-N
ID: 90730
SMILES:c1(C(CCCCCCCCCCC)C(CCCCC)O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.802
CB1 binding score: -13.456
InChIKey:GZDXGXLIAFSWMZ-UHFFFAOYSA-N
ID: 90731
SMILES:O(C(C12CC=C(C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.433
InChIKey:WVBDXRQWOOFGOT-UHFFFAOYSA-N
ID: 90732
SMILES:C1=C(C)C(=O)CC2C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.616
InChIKey:PIORBXRLCJJSLT-UHFFFAOYSA-N
ID: 90733
SMILES:C1=C(OCC)C(=O)c2c(cc(CCCCC)cc2O)C2C1C(O)(C)CCC2C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.306
InChIKey:VGIADDNKYADOKI-UHFFFAOYSA-N
ID: 90734
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(CO)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.662
InChIKey:MRBFFNWUCSUZNP-UHFFFAOYSA-N
ID: 90735
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 90736
SMILES:C1CC(C)(C(=O)O)C2C(c3c(cc(CCCCCO)cc3O)O2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: Not available
InChIKey:IFLIACOBTNLPCQ-UHFFFAOYSA-N
ID: 90737
SMILES:C(CCCC)c1cc(O)c2c(c1O)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.927
InChIKey:QLANXRHKTOAOMV-UHFFFAOYSA-N
ID: 90738
SMILES:C(CCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1C(CCC)=O)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.61
InChIKey:MKCHVSJALZLSLE-UHFFFAOYSA-N
ID: 90739
SMILES:CC1(C)Oc2cc(C)c(CC=C(C)C)c(O)c2C2C1CCC(OC(C)=O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.051
InChIKey:RFJLTXQRIAIKBX-UHFFFAOYSA-N
ID: 90740
SMILES:O1C2(C3C(c4c(O)cc(CCCCC)cc4O3)OC2C=C(COC(C)=O)C)CCC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -15.778
InChIKey:FETHHNZSKZEINS-UHFFFAOYSA-N
ID: 90741
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N