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Molecule Identifiers
Molecular Properties

ID: 103846

SMILES:
C(C)(C1CCC(C)=CCOc2c3c(cc(CCCCC)c2)OC(C)(CCC=C(C)C)C(CC1)O3)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.748

CB1 binding score: Not available

InChIKey:
VJUDOBNBZCRVCZ-UHFFFAOYSA-N

ID: 103847

SMILES:
C(C(C)O)CCc1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(=O)OC1(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -13.429

InChIKey:
YMCBMHLAAMPYNA-UHFFFAOYSA-N

ID: 103848

SMILES:
C1(C)(C)C=Cc2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.771

InChIKey:
NUDQDNWIMDAJAE-UHFFFAOYSA-N

ID: 103849

SMILES:
CC(C)C1=Cc2c(cc(CCCCC)cc2O)OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.57

InChIKey:
JPWHBAKBBOETSJ-UHFFFAOYSA-N

ID: 103850

SMILES:
C1(C)(C)Oc2cc(CCC)cc(O)c2C2C=C(C(CCC(C)=O)CC1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.147

InChIKey:
DOJUHGDHRSCMOA-UHFFFAOYSA-N

ID: 103851

SMILES:
c1(F)cc(C(C)=O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.362

CB1 binding score: -13.749

InChIKey:
BNEDMWNKBGNBQW-UHFFFAOYSA-N

ID: 103852

SMILES:
c1(Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C(=C)C)c(O)ccc(CC=C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.631

CB1 binding score: -14.651

InChIKey:
SDXIDHGVRNRQQO-UHFFFAOYSA-N

ID: 103853

SMILES:
O(C)c1c(C2C(C(C)=CCCC(=C)C)CCC(O)(C)C2OC)ccc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -14.439

InChIKey:
FKIRYYLDDJYOSL-UHFFFAOYSA-N

ID: 103854

SMILES:
c1(CCCCC)cc(OC(=O)C)c(C2C=C(C)CCC2C(NC(CC(C)C)C(=O)O)=O)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 487.637

CB1 binding score: -11.675

InChIKey:
BIWKUYSVJBBMOU-UHFFFAOYSA-N

ID: 103855

SMILES:
c1(C(=O)O)c(O)c(C(C(C)CC)=O)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -12.42

InChIKey:
YOWRTENARIZVHB-UHFFFAOYSA-N

ID: 103856

SMILES:
C(C)CCCc1cc(OC(=O)C)c(C2CC(C(=O)O)=C(C)C2(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.306

InChIKey:
XVUPTFDUWQIMMJ-UHFFFAOYSA-N

ID: 103857

SMILES:
C1CC2C(C)(C)Oc3c(cc(CCc4ccccc4)cc3O)C2C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -16.013

InChIKey:
LDYCWPYNYXKOJY-UHFFFAOYSA-N

ID: 103858

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 103859

SMILES:
C(CCC=C(C)C)(C1c2c(c(O)cc(CCCCC)c2)C(=O)C=C1OC)C(=O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.988

InChIKey:
GVZPHVYZUAQMMJ-UHFFFAOYSA-N

ID: 103860

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 103861

SMILES:
CC1(c2c(O)cc(CO)cc2)Oc2c(c(O)cc(CCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -15.974

InChIKey:
IEAHQAPYZOOOQZ-UHFFFAOYSA-N

ID: 103862

SMILES:
C1C(C(C=CC(C(C)(C)O)=O)(C)O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.538

InChIKey:
MJJQXSFWCKZNTP-UHFFFAOYSA-N

ID: 103863

SMILES:
C1C(C(=C)CO)Cc2c(ccc(CCCCC)c2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.472

InChIKey:
VACMDRIKYWJVDI-UHFFFAOYSA-N

ID: 103864

SMILES:
C1(C(C(CC)O)C)OC(c2c(O)cc(O)cc2CC=C(C)CCC=C(C)C)OC1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -14.349

InChIKey:
PPMDHAZEIMWHLL-UHFFFAOYSA-N

ID: 103865

SMILES:
C(Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1)C(CCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.724

InChIKey:
IIBUYAQSDSRFHI-UHFFFAOYSA-N

ID: 103866

SMILES:
C1=CC(C)(C)Oc2c1c1c(cc2CCCCC)CC(CO)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.085

InChIKey:
RDSMSOUWXRERFL-UHFFFAOYSA-N

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103846–103866 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