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Molecule Identifiers
Molecular Properties

ID: 48091

SMILES:
CC1(C)Oc2c(cc(O)c(CC=C(C)CCC=C(C)C)c2)-c2c1ccc(C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -15.698

InChIKey:
XCJBJILWQHOFKA-UHFFFAOYSA-N

ID: 48092

SMILES:
CC1(CCC=C(C)C)C2c3c(O)cc(CCCCC)c(C(=O)O)c3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -12.971

InChIKey:
RVXMOFGEDBTAOJ-UHFFFAOYSA-N

ID: 48093

SMILES:
c1(O)c(=O)c(O)c2c(cc1O)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.341

CB1 binding score: -15.303

InChIKey:
WJFMQXLKHFUHIY-UHFFFAOYSA-N

ID: 48094

SMILES:
O=C(C)OC(c1cc(O)c(C2C=C(C=C)CCC2C(C)=C)c2c1OC(C)(CCC=C(C)C)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.657

CB1 binding score: Not available

InChIKey:
YRIAZYBGGGRROH-UHFFFAOYSA-N

ID: 48095

SMILES:
CC(=CCC12C3(c4c(O)cc(CCCCC)cc4OC1O2)C=CC(C1C2CC2(O)C=CCC(=O)O3)O1)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.638

CB1 binding score: -16.181

InChIKey:
DJVABJJTOCSTGO-UHFFFAOYSA-N

ID: 48096

SMILES:
c1(CCCC)cc2c(c(O)c1)C1C(O2)C(CCC=C(CCC=C(C)C)C)(C)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: Not available

InChIKey:
SAXUHMOJGQRQGE-UHFFFAOYSA-N

ID: 48097

SMILES:
C12C(C)(C)C(O)CCC1(C)C1OC3(C)CC2c2c(cc(CCCCC)cc2O)OC3C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.401

InChIKey:
SJEKBNHHNPZRNE-UHFFFAOYSA-N

ID: 48098

SMILES:
C(C(C)=CCc1c(O)c(C(CC(C)C)=O)c2c(c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.606

CB1 binding score: -12.555

InChIKey:
RIYINQLJWXCAJI-UHFFFAOYSA-N

ID: 48099

SMILES:
c1(O)cc(CC=C(C)CCC(O)C2(C)OC(=O)CC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.561

InChIKey:
JKMPPDWTRMHYLW-UHFFFAOYSA-N

ID: 48100

SMILES:
C(c1cc(O)cc2c1OC(C)(C)CC2=CCCC(O)(C)C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.12

InChIKey:
KWYSNSDZPBXEFJ-UHFFFAOYSA-N

ID: 48101

SMILES:
CC1=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 48102

SMILES:
C1=C(C)CCC(C(O)(C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 48103

SMILES:
C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C3CC(C)=CCC3C(C)(O1)C2)(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.095

InChIKey:
ZYCXNUZOMDHKPA-UHFFFAOYSA-N

ID: 48104

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 48105

SMILES:
C1(C)=C(CCCC)C(CC=C(C)C)C(C)=CCC1CC(O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -11.974

InChIKey:
ORKOELUWQMEMOQ-UHFFFAOYSA-N

ID: 48106

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 48107

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 48108

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 48109

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 48110

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCCC)cc2OC)OC2(C)C=CC(C(C)C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.695

CB1 binding score: -10.304

InChIKey:
DGZLGVIRQQPBSE-UHFFFAOYSA-N

ID: 48111

SMILES:
C(OC(=O)C)(C(=C)C(O)c1cc(CCCCC)cc2c1OC1(CC(OC)=O)C=CC(C)(C)OC1CC2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.659

CB1 binding score: -15.551

InChIKey:
CRFOQBYFVURYQN-UHFFFAOYSA-N

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48091–48111 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