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Molecule Identifiers
Molecular Properties

ID: 141877

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 141878

SMILES:
C1c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 141879

SMILES:
C1CC(C)=CC(c2c(O)cc(O)cc2CCC)C1C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -12.466

InChIKey:
QEZOQOKSECGXCV-UHFFFAOYSA-N

ID: 141880

SMILES:
c1(OC)c(C=O)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: Not available

InChIKey:
ALQDEULSKHYFLA-UHFFFAOYSA-N

ID: 141881

SMILES:
C(=CC1C(C)(C)C2CCC1(O)C)c1cccc(O)c1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.874

InChIKey:
GQIQEROQUKYSMQ-UHFFFAOYSA-N

ID: 141882

SMILES:
C1(C)CCC(C(C)C)C1c1c(O)c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -15.395

InChIKey:
CXDMGVGATCLDTA-UHFFFAOYSA-N

ID: 141883

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141884

SMILES:
C1=C(C)CC(c2c(O)cc(CCC)cc2OC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.099

InChIKey:
NBMJMYIBJIBJAJ-UHFFFAOYSA-N

ID: 141885

SMILES:
C(c1c(O)c(C(C(C)(C=C)C)=O)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -11.29

InChIKey:
TUCXCMIPBMWTGL-UHFFFAOYSA-N

ID: 141886

SMILES:
C(C=C(CO)C)c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.429

InChIKey:
OOAVWYOYGYEXHP-UHFFFAOYSA-N

ID: 141887

SMILES:
c1c(CCCCC)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 141888

SMILES:
C1C2(C=C(C)C(=O)C2(O)CC(=C)C)Oc2cc(CCCCC)cc(O)c2C1CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.097

InChIKey:
NMWKMPMASFFRGO-UHFFFAOYSA-N

ID: 141889

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)C)C(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.162

InChIKey:
ALXINYAFMSKOBU-UHFFFAOYSA-N

ID: 141890

SMILES:
c12cc(OC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -19.386

InChIKey:
BCARDKDANZSKCJ-UHFFFAOYSA-N

ID: 141891

SMILES:
C(CCCC)c1cc(O)c2c(c1O)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.694

InChIKey:
NEHLYNVNPXKHCM-UHFFFAOYSA-N

ID: 141892

SMILES:
C(C(=O)c1cc(O)c(CC=C(C)CCC=C(C)C)cc1O)CCCc2ccc(O)c(OCCC(C)=C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -15.864

InChIKey:
JSVCLASPRBZBDG-UHFFFAOYSA-N

ID: 141893

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1(C)C(C(C)(CO)CCC1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.306

InChIKey:
FTZPYELVRPNNFV-UHFFFAOYSA-N

ID: 141894

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCC)cc1OC)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.187

InChIKey:
ZKXZJUZIDUHJLH-UHFFFAOYSA-N

ID: 141895

SMILES:
Oc1cc(CCCCC)cc2c1OC(CC1C(=C(C)C)CCC1C)(C)C=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.842

InChIKey:
OBSNRYWSKPYXMC-UHFFFAOYSA-N

ID: 141896

SMILES:
c1c(CCCC)cc2c(c1)C1C3C4(C)CCCC(C)(C)C4CCC3(C(CO)O1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.132

InChIKey:
AITBFRDTVNOTOV-UHFFFAOYSA-N

ID: 141897

SMILES:
c1(O)c(OC)cc(C)cc1C1C(C(C)=C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.929

InChIKey:
MSVOHXPRFARWQY-UHFFFAOYSA-N

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141877–141897 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