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Molecule Identifiers
Molecular Properties

ID: 130831

SMILES:
CC12C3C(C(O)c4c(cc(CCCCC)cc4O)OC1)C=C(C(C)C)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.211

InChIKey:
INNUXQQLJZYWTN-UHFFFAOYSA-N

ID: 130832

SMILES:
c1(O)c(C=O)c2c(c(O)c1Cl)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.788

CB1 binding score: -18.011

InChIKey:
VCELOQAKTGBGBU-UHFFFAOYSA-N

ID: 130833

SMILES:
C(CCc1cc2c(c(O)c1)C1(O)C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.313

InChIKey:
XIIAOXXFRJHRGJ-UHFFFAOYSA-N

ID: 130834

SMILES:
C1C(C)CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.98

InChIKey:
ZCXKSPWVJXODPG-UHFFFAOYSA-N

ID: 130835

SMILES:
CC1(C)C(=O)CCC2(C)C1CC=C(C)C2Cc1c(O)cc(C(O)CCCCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -16.619

InChIKey:
NXHJMCSRDKHQBT-UHFFFAOYSA-N

ID: 130836

SMILES:
c1c(CCCC(=CCc2cc(C)cc(O)c2)C)cc(OC)c2c1OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -15.834

InChIKey:
BHPIYDXYUJMIBZ-UHFFFAOYSA-N

ID: 130837

SMILES:
CC1(C)Oc2ccc(CC=C)c(O)c2C2CC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -16.376

InChIKey:
HBOUEPXBJVNCSM-UHFFFAOYSA-N

ID: 130838

SMILES:
C(c1c(O)c(C2C(C(C=O)=C)CCC(C)=C2)c(O)cc1C)C(CCCCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -13.848

InChIKey:
BUVOFGGTXYQACK-UHFFFAOYSA-N

ID: 130839

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1(C(O)=O)CC(C(C)=C)C1OC2OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -13.633

InChIKey:
RZXYXTOZPRRZKT-UHFFFAOYSA-N

ID: 130840

SMILES:
C12C(C)(C)Oc3cc(CCCC)cc(O)c3C1C(=O)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.39

InChIKey:
VWKJUXPYGXXKEZ-UHFFFAOYSA-N

ID: 130841

SMILES:
C12=CC(C)=CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.957

InChIKey:
BXBPYYDKENEJGP-UHFFFAOYSA-N

ID: 130842

SMILES:
CC1(C)C2=C(C(=O)C(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 130843

SMILES:
C(=C(C)C)CCC(=CCc1c(O)cc(C(O)=O)c(CCCCC)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.521

InChIKey:
YNICQFSDPAXQPZ-UHFFFAOYSA-N

ID: 130844

SMILES:
C1C2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c3O2)CCC(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -15.188

InChIKey:
ACPDYMALAFYQQY-UHFFFAOYSA-N

ID: 130845

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 130846

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCC(C)=CC=CC(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.447

InChIKey:
NMPSJONRSLLXHL-UHFFFAOYSA-N

ID: 130847

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)C=C(C)C(=O)C1=CC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.929

InChIKey:
VRLBVDWFEXENHD-UHFFFAOYSA-N

ID: 130848

SMILES:
C1(C)(C)Oc2cc(CCCCC)ccc2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -17.313

InChIKey:
INRGZPCOWZBIFE-UHFFFAOYSA-N

ID: 130849

SMILES:
C(C)C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C1C2C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.336

InChIKey:
PDWMNMYCKJGMDI-UHFFFAOYSA-N

ID: 130850

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.282

InChIKey:
CYXAQFLGANZUTR-UHFFFAOYSA-N

ID: 130851

SMILES:
C1(C)=CC(c2cc(OC(C)=O)c(C)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.947

InChIKey:
YTBJWHGQNSAETC-UHFFFAOYSA-N

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130831–130851 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