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Molecule Identifiers
Molecular Properties

ID: 101116

SMILES:
C1CC(C)=CC(c2c(O)cc(C)c(CC=C(C)CCC=C(C)C)c2O)C1C(O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -18.039

InChIKey:
PUZYATANIKDGOI-UHFFFAOYSA-N

ID: 101117

SMILES:
C1CC2C(C)(C)Oc3c(C)cc(O)c4c3C2C1(C)CC4

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.367

InChIKey:
VGWLHDDCUCAORU-UHFFFAOYSA-N

ID: 101118

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCCCC)c2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 101119

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 101120

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -18.321

InChIKey:
VHPCPGQDLMJXOP-UHFFFAOYSA-N

ID: 101121

SMILES:
CC(=CCC1c2c(O)cc(CCCCC)cc2OC1(C)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.133

InChIKey:
OSYWSWBYPAAZHP-UHFFFAOYSA-N

ID: 101122

SMILES:
Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 101123

SMILES:
C1C(=O)OC(CCC=C(C)C)(C)C=Cc2c1c(CCCC)cc(O)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.198

InChIKey:
NGLRSKLATCRHNG-UHFFFAOYSA-N

ID: 101124

SMILES:
C(c1cc(O)cc(CCC)c1Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -13.225

InChIKey:
JBHIDNFFLMIKNP-UHFFFAOYSA-N

ID: 101125

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.108

InChIKey:
PPZWAHLWZVOCDJ-UHFFFAOYSA-N

ID: 101126

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 101127

SMILES:
c1c(O)c(C)c(C2C=C(C)CCC2C(=C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.752

InChIKey:
LYCKFOOBJOSSFB-UHFFFAOYSA-N

ID: 101128

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 101129

SMILES:
Cc1cc2c(c(C)c1C1C=C(C)CCC1C(C)=C)OCO2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -13.136

InChIKey:
KYPZWABSJIADMB-UHFFFAOYSA-N

ID: 101130

SMILES:
COc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=CC(C)CC=CC(C)(C)O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.739

InChIKey:
OJVUAPBXXGGRPE-UHFFFAOYSA-N

ID: 101131

SMILES:
CC1(C)C2C(c3c(cc(CCCCC)cc3OC)O1)CC(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.101

InChIKey:
GYOYYQFMJFWKBC-UHFFFAOYSA-N

ID: 101132

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 101133

SMILES:
C1CC(C(O)(CCC=C(C)C)C)C2c3c(O)cc(CCCCC)cc3OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.195

InChIKey:
SFPUNGREHDETRD-UHFFFAOYSA-N

ID: 101134

SMILES:
C(C)(C1C(CC(=O)O)c2c(O)cc(CCCCC)cc2O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -12.209

InChIKey:
CYTYZSAOWZEZAT-UHFFFAOYSA-N

ID: 101135

SMILES:
C(=CC(C)=CCc1c(O)cc(CCCCCOC(C)=O)cc1O)C1C(C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.068

InChIKey:
MQULYJYXFHEWLM-UHFFFAOYSA-N

ID: 101136

SMILES:
C(O)C1OC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -16.527

InChIKey:
JJCRRJGHESUFTI-UHFFFAOYSA-N

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101116–101136 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