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Molecule Identifiers
Molecular Properties

ID: 73879

SMILES:
C(c1c2c3c(c(O)c1)C=C(C(CC)C)C(C)C3)OC21OC(C)(C)C(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.01

InChIKey:
CMCHPOPGBSMNRE-UHFFFAOYSA-N

ID: 73880

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCCO)cc2O)C=C(CCC=C(C)C)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.003

InChIKey:
TVNWAATYPTXAGG-UHFFFAOYSA-N

ID: 73881

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.642

InChIKey:
DGCREINXVUPAIA-UHFFFAOYSA-N

ID: 73882

SMILES:
CC1(C)CC2C(C(=O)O)CCC2(C)C2C1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.929

InChIKey:
SPSMSYIWWZMTTN-UHFFFAOYSA-N

ID: 73883

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 73884

SMILES:
c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.501

InChIKey:
ZRNQFMKXIKBYCP-UHFFFAOYSA-N

ID: 73885

SMILES:
C12=C(C(OC)OC)CCCC1(C)CC1C(C(C)(C)Oc3cc(CCCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -17.682

InChIKey:
XHMZHLWLARHFNJ-UHFFFAOYSA-N

ID: 73886

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2=C1C(=O)C(O)C(O)(C)C1OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -14.882

InChIKey:
BXGIVVZCOMSZQV-UHFFFAOYSA-N

ID: 73887

SMILES:
C12(C)CCC(O)C(C)(C)C1CCC1(C)Oc3c(O)cc(CCCCC)cc3OC1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.951

InChIKey:
UVCAEOLRCRWWOX-UHFFFAOYSA-N

ID: 73888

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.66

InChIKey:
KZEFBQGDXCTVNX-UHFFFAOYSA-N

ID: 73889

SMILES:
C1(=O)Oc2c(c(O)cc(CCCCC)c2)C2C3C4OC4(C)CCC12OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -11.876

InChIKey:
TYIBRVUGDYFTEF-UHFFFAOYSA-N

ID: 73890

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 73891

SMILES:
C(C(O)C)CCc1c2c(ccc1C)OC(C)(C)C1OC(C)(C)C(C1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.907

InChIKey:
YSTNJSIAVDFVFB-UHFFFAOYSA-N

ID: 73892

SMILES:
O=CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 73893

SMILES:
C(C)(=O)Oc1cc(CCCCCC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.333

InChIKey:
DERDHYHEMZBAJF-UHFFFAOYSA-N

ID: 73894

SMILES:
c12c(CCCCC)cc(O)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.296

InChIKey:
SBDHCUZETSWOAX-UHFFFAOYSA-N

ID: 73895

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCC)cc2O)C(C)(O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.48

InChIKey:
DCDZJRTVEYHEGL-UHFFFAOYSA-N

ID: 73896

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 73897

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 73898

SMILES:
O1CC2(c3c(OC(=O)C)cc(CCCCC)cc3OC13CC(C)O3)CCC(C(C)(O)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.556

CB1 binding score: -17.123

InChIKey:
JIILBKIFCNDWFA-UHFFFAOYSA-N

ID: 73899

SMILES:
C(CCCc1ccc(OC(C)(C)C2CCC(C)=CC2)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -17.334

InChIKey:
TWQDKKOMMSAJEZ-UHFFFAOYSA-N

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73879–73899 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