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Molecule Identifiers
Molecular Properties

ID: 136921

SMILES:
c1(CCC(C(O)(C)C)CC2=C(O)C(O)C(C)(C)CC2=O)cc(O)c(C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.519

CB1 binding score: -15.099

InChIKey:
WJQGUTJCDCIIRV-UHFFFAOYSA-N

ID: 136922

SMILES:
CC1(C)C2CC(O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 136923

SMILES:
C(CCc1cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)(O)CC1)C(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -15.062

InChIKey:
YWNCQINTHURPBS-UHFFFAOYSA-N

ID: 136924

SMILES:
Oc1cc(C2C(C(C)C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.023

InChIKey:
AUSUIGFPHFBARQ-UHFFFAOYSA-N

ID: 136925

SMILES:
c1(OC)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 136926

SMILES:
C1(Oc2cc(O)c(O)c(CC=C(CCC=C(C)C)C)c2)C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.633

InChIKey:
OSKMNMNMABPPMY-UHFFFAOYSA-N

ID: 136927

SMILES:
C(c1cc(O)cc(CC=C(C)C)c1O)C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 136928

SMILES:
CC1C(CO)C2(C)OC2Cc2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -13.185

InChIKey:
LDLZRTMFSSQYJM-UHFFFAOYSA-N

ID: 136929

SMILES:
O=C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -17.869

InChIKey:
JZAGRKBCAAUEHG-UHFFFAOYSA-N

ID: 136930

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 136931

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 136932

SMILES:
Cc1c(COC(=O)CC(C)C)c(C2C=C(C)CCC2C(C)=C)cc(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.605

InChIKey:
VLOMZTOCZLBAFG-UHFFFAOYSA-N

ID: 136933

SMILES:
C1(OC(C)(C)C)C(O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -16.391

InChIKey:
KNWVORKNLVYHFR-UHFFFAOYSA-N

ID: 136934

SMILES:
C1C(C(C(C)C)CC)=C(C)C2=C(CC1)C1(C)C(=C(C)C=CC21)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.617

CB1 binding score: -15.174

InChIKey:
CGAUIVBIEDKHFG-UHFFFAOYSA-N

ID: 136935

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(O)CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.242

InChIKey:
TZRZNSUYFYCVGC-UHFFFAOYSA-N

ID: 136936

SMILES:
C(c1c2c(ccc1C)C1=C(C(O)C(O)C1C)C(C)(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.652

InChIKey:
GWAALLKLPMWSQU-UHFFFAOYSA-N

ID: 136937

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 136938

SMILES:
C[N+](CCc1ccc(O)cc1)=Cc1cc(O)c(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.546

CB1 binding score: -16.199

InChIKey:
QMDXZXQBTIJHIS-UHFFFAOYSA-O

ID: 136939

SMILES:
CC(C#CC=C(C)C)=CCc1c(O)cc(CCCCC)c(Cc2cc(O)c3c(c2)OC(C(O)(C)C)CC=C3C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.759

CB1 binding score: -16.863

InChIKey:
YJVYCRCORZENIG-UHFFFAOYSA-N

ID: 136940

SMILES:
C1(CO)=CCC2C(C)(C)Oc3cc(C)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -15.094

InChIKey:
NORJBBICWZETPW-UHFFFAOYSA-N

ID: 136941

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)CCC3C(C)(O3)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.145

InChIKey:
DQEMHDJMVUVXLS-UHFFFAOYSA-N

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136921–136941 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties