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Molecule Identifiers
Molecular Properties

ID: 73837

SMILES:
C1C(O)C2(C)Oc3cc(CCC)cc(O)c3C(C2C(=O)C)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.196

InChIKey:
LYERSRCCIQSOPD-UHFFFAOYSA-N

ID: 73838

SMILES:
C(C)(OC1C2C(C)(CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c43)C2CC=C1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.504

InChIKey:
ASWRILUZLKFLTN-UHFFFAOYSA-N

ID: 73839

SMILES:
C12C(C)(C)C1c1c(cc(CCCCC)cc1O)C(=O)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.438

InChIKey:
QZDPPSDQSHPGBZ-UHFFFAOYSA-N

ID: 73840

SMILES:
C=C1C2C(OC)C(C(C=O)=CC3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -13.522

InChIKey:
MJEDPXHFDIECIG-UHFFFAOYSA-N

ID: 73841

SMILES:
C(=O)(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 73842

SMILES:
C1(O)C(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)CO)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.916

InChIKey:
JYQMMDFGYAAUIP-UHFFFAOYSA-N

ID: 73843

SMILES:
C(CC)Cc1cc(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: 73844

SMILES:
Cc1cc(OC)c2c(c1)OC(C)(C)C=CCC2(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -15.051

InChIKey:
LQJNXUXZVOHITB-UHFFFAOYSA-N

ID: 73845

SMILES:
O=C(CCC(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1OC2CC1(O)C)=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -16.132

InChIKey:
YDLZDDFGKARWQC-UHFFFAOYSA-N

ID: 73846

SMILES:
c1(O)cc(CCCCC)c(C=O)c2c1C1(O)CC(C)=CCC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.502

InChIKey:
RIQRAGIROSWJLL-UHFFFAOYSA-N

ID: 73847

SMILES:
C(C(C)CC(Oc1cc2c(c(C)c1)OC(C1OC(C)(C)C=C1)C2)C(C=C(C(O)C)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -15.374

InChIKey:
INLHVZUVSGCUPS-UHFFFAOYSA-N

ID: 73848

SMILES:
CC(CC)C(=O)c1cc(O)cc2c1OC(C)(C)C1CC=C(CO)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.506

InChIKey:
VKLZXBVDOKYHEG-UHFFFAOYSA-N

ID: 73849

SMILES:
CC(C)CC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.419

InChIKey:
HYXJZSBKNKJZHQ-UHFFFAOYSA-N

ID: 73850

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 73851

SMILES:
C12C3CC=C(C)C1C(c1c(O)cc(CCCCC)cc1O2)O[CH]3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 313.417

CB1 binding score: -12.737

InChIKey:
VIFLGZAPIBPGKP-UHFFFAOYSA-N

ID: 73852

SMILES:
C(C(=O)c1cc(O)c2c(c1)OC(C)(C)C1C=CC(C)=CC12)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.306

InChIKey:
IYGHAQWYVIBTKR-UHFFFAOYSA-N

ID: 73853

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 73854

SMILES:
C1Oc2cc(CCC)cc(O)c2C1C(C)(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 236.311

CB1 binding score: -15.905

InChIKey:
YYZBNUSNVIOKHK-UHFFFAOYSA-N

ID: 73855

SMILES:
c1c(CCCC)c(O)c2c(c1O)OC1(C)CCCC(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.74

InChIKey:
NDXNWAOXEJSBSS-UHFFFAOYSA-N

ID: 73856

SMILES:
C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C(=O)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.502

InChIKey:
IEZHTSBATAHYOJ-UHFFFAOYSA-N

ID: 73857

SMILES:
CC1(C)Oc2c(cc(C)cc2)C2CC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.666

InChIKey:
UYYGZUNBFWROKO-UHFFFAOYSA-N

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73837–73857 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