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Molecule Identifiers
Molecular Properties

ID: 54412

SMILES:
CC(C)=CC(CC1(C)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2)CCC1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.549

CB1 binding score: -14.39

InChIKey:
CTKKYZSUXDUKGY-UHFFFAOYSA-N

ID: 54413

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.481

InChIKey:
YGQOYJUFZSNESF-UHFFFAOYSA-N

ID: 54414

SMILES:
c1(CCCCC)cc2c(c(C(=O)CCC)c1O)OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -13.068

InChIKey:
LESQLMWIBVJKGW-UHFFFAOYSA-N

ID: 54415

SMILES:
C12CC=C(C)CC1c1c(O)cc(CCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.432

InChIKey:
IGFPDZOXIOPCCQ-UHFFFAOYSA-N

ID: 54416

SMILES:
C1(C(C)C)C2=C(c3c(cc(CCCCC)cc3O)O1)C(O)C(O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.569

InChIKey:
BQEMRPLYDNEPKB-UHFFFAOYSA-N

ID: 54417

SMILES:
Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.962

InChIKey:
MVBUZUVPKJXXNR-UHFFFAOYSA-N

ID: 54418

SMILES:
Oc1cc(CCCC)cc2c1C1CC(C(C)C=O)CCC1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.136

InChIKey:
UKHXOLDZIZXSKT-UHFFFAOYSA-N

ID: 54419

SMILES:
OC1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.085

InChIKey:
VUDSKIPMWGVGSR-UHFFFAOYSA-N

ID: 54420

SMILES:
C(CCCC)c1cc(O)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.891

InChIKey:
JFJAMLJGMDJCRJ-UHFFFAOYSA-N

ID: 54421

SMILES:
C(=C(C)CC(=O)C=C(C)C)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 330.468

CB1 binding score: -17.947

InChIKey:
ZXDVFJZNEMZQLZ-UHFFFAOYSA-N

ID: 54422

SMILES:
C(CCCC)Cc1c(O)c2c(c(C=O)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.239

InChIKey:
SXCVEZFBOWSNPR-UHFFFAOYSA-N

ID: 54423

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(CO)CC2O)CC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.552

InChIKey:
MJJBUJWCCKMKDZ-UHFFFAOYSA-N

ID: 54424

SMILES:
C1C2C(C)=C(C1(C)C)c1c(cc(CCC)cc1O)OC2(C)c1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -15.79

InChIKey:
JGSBQZPJPHTDDH-UHFFFAOYSA-N

ID: 54425

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 54426

SMILES:
C1(C(=C)C)CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 54427

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.781

InChIKey:
CTZSPTCATADZMP-UHFFFAOYSA-N

ID: 54428

SMILES:
C(C)(=O)OC1C(=C)CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.402

InChIKey:
ZREHUYKORCUCPS-UHFFFAOYSA-N

ID: 54429

SMILES:
C1C2(C)C(c3c(O)cc(CCC)cc3O1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -15.381

InChIKey:
FLHRQNHOGGZOOA-UHFFFAOYSA-N

ID: 54430

SMILES:
C12(C)C(CCC3(C)C1c1c(cc(CCCCC)cc1O)O3)C1(C)C(CC2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.36

InChIKey:
GDDFJQYQLCGACT-UHFFFAOYSA-N

ID: 54431

SMILES:
C(Cc1cc2c(c(O)c1C)OC(C)(C)C1=CCC(C)CC12)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.502

InChIKey:
FRPLKYGBCWAYJQ-UHFFFAOYSA-N

ID: 54432

SMILES:
CC1(C)CCCC(O)C2(C)Oc3c(c(O)cc(CCC)c3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.733

InChIKey:
ACITZPUAISCFJW-UHFFFAOYSA-N

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54412–54432 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