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Molecule Identifiers
Molecular Properties

ID: 141730

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 141731

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 141732

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C1(C)C)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141733

SMILES:
C1(=O)CC=C(C)C2(Oc3c(c(O)cc(C)c3)CC2C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.848

InChIKey:
MCFJAILEOUHKRQ-UHFFFAOYSA-N

ID: 141734

SMILES:
c12c(c(O)cc(CCCCC)c1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.068

InChIKey:
STNBJEFTZUCAKW-UHFFFAOYSA-N

ID: 141735

SMILES:
C12CC(C(C)=C)CCC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 141736

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 141737

SMILES:
C(CCC(c1cc2c(cc1O)C1C(C(C)(C)O2)CCC(C)=C1)=O)C(CN)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 373.493

CB1 binding score: -15.224

InChIKey:
ITINAIAHCDZPIU-UHFFFAOYSA-N

ID: 141738

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.233

InChIKey:
LXSFNMQURHTPIT-UHFFFAOYSA-N

ID: 141739

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141740

SMILES:
COc1c2c(c(Cl)c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.832

CB1 binding score: -18.216

InChIKey:
UDILFUBTSXJUQR-UHFFFAOYSA-N

ID: 141741

SMILES:
C12(C)Oc3c(cc(CCCCC)cc3O)C(C1=O)C(C(CCC=C(C)C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.458

InChIKey:
JLDXXELOKFCDTR-UHFFFAOYSA-N

ID: 141742

SMILES:
O(c1cc(CCCCC)cc(O)c1)C1=C(O)C2(C(C)CC1)CC(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.55

InChIKey:
SDNLLRJZVTVJJU-UHFFFAOYSA-N

ID: 141743

SMILES:
C1(O)CC(C(C)=C)Cc2c(CCCCC)cc(O)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -15.116

InChIKey:
REHWKXJPJCGHPS-UHFFFAOYSA-N

ID: 141744

SMILES:
C(C(c1cc(O)c(C)c2c1OC1(C)CCCC(C)(C)C1CC2)(C)C)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.593

CB1 binding score: -15.029

InChIKey:
ZFCNZJRYLFDQEO-UHFFFAOYSA-N

ID: 141745

SMILES:
C(=O)(CC(C)C)c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.692

InChIKey:
PGSXIVCBPSQKTA-UHFFFAOYSA-N

ID: 141746

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.21

InChIKey:
QATRADYGJXWTPV-UHFFFAOYSA-N

ID: 141747

SMILES:
CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 141748

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 141749

SMILES:
C1=C(C)C(CC=C(C)CCC=C(C)C)C(=O)C(=O)c2c3c(ccc21)C1C(C(C)(C)Oc2cc(CCCCC)cc(OC)c21)C(=O)C=C(OC)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 692.893

CB1 binding score: -13.873

InChIKey:
HAXHXWIKVGCFJG-UHFFFAOYSA-N

ID: 141750

SMILES:
C(CC)Cc1c(C(=O)O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.841

InChIKey:
NNHBZIQMFGGAOM-UHFFFAOYSA-N

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141730–141750 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