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Molecule Identifiers
Molecular Properties

ID: 118819

SMILES:
C12(O)C(=O)CC(C)C1=C1Oc3cc(O)c(CCCCC)cc3OC1(C)CC=C2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -14.782

InChIKey:
OUIYMMBYBVDWJO-UHFFFAOYSA-N

ID: 118820

SMILES:
C1CC(C)(C)Oc2c(c(O)cc(C)c2)C1(O)CCC(=CCc1cc(OC)c(Br)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 505.449

CB1 binding score: -14.936

InChIKey:
PUQFZXPOORKCMI-UHFFFAOYSA-N

ID: 118821

SMILES:
c1c(C2C=C(C)CCC2C(=C)C)cc(CC=C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.455

CB1 binding score: -15.058

InChIKey:
FBIXQHYQAOOUNB-UHFFFAOYSA-N

ID: 118822

SMILES:
CCCCCc1c(O)c2c(c(O)c1)C1C(CCl)CC(O)(C2(C)C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.912

CB1 binding score: -15.516

InChIKey:
MCDCVEDPTLJGLP-UHFFFAOYSA-N

ID: 118823

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)C=CC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.767

InChIKey:
OWBTUVZPFPJZRR-UHFFFAOYSA-N

ID: 118824

SMILES:
C1(C)(C)C2CC=C(COC(=O)C)CC2c2ccc(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.992

InChIKey:
MJKZOCZEYBRTOW-UHFFFAOYSA-N

ID: 118825

SMILES:
C1C(C)(C)C2=C(C(c3ccccc3)c3c(O)c(C4C=C(C)CCC4C(C)=C)c(O)c(C(=O)C(C)CC)c3O)C(C)(C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.77

CB1 binding score: -15.242

InChIKey:
ZCRUZOOKOXDRPA-UHFFFAOYSA-N

ID: 118826

SMILES:
C(=O)(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC21)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.897

InChIKey:
TTWJAFCKEKSUCW-UHFFFAOYSA-N

ID: 118827

SMILES:
c1(CC2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.666

InChIKey:
LCVMTZHZVTYFTF-UHFFFAOYSA-N

ID: 118828

SMILES:
N1c2c(c(O)c3c(c2)OC(C)(C)C2C3C=C(C)CC2)C=C(CCC=C(C)C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.527

CB1 binding score: -14.833

InChIKey:
YYVJDSFKOAEONC-UHFFFAOYSA-N

ID: 118829

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 118830

SMILES:
Cc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.825

InChIKey:
SBNHDVINUVKXIY-UHFFFAOYSA-N

ID: 118831

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(CCC=C(C)CCC=C(C)C)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.533

InChIKey:
SSAGBEKZUKESAS-UHFFFAOYSA-N

ID: 118832

SMILES:
C(Cc1cc(O)c(O)c(C2CC=C(C)CCC2C(C)C)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 344.539

CB1 binding score: -17.24

InChIKey:
SNHPPOLSLSNFSS-UHFFFAOYSA-N

ID: 118833

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(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: 118834

SMILES:
c1c(OC)c(OC)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.828

InChIKey:
ORQSKZRFVNRGTL-UHFFFAOYSA-N

ID: 118835

SMILES:
C1(OC(=O)C)CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.258

InChIKey:
DFYIMJCESQNSEI-UHFFFAOYSA-N

ID: 118836

SMILES:
CC1(C)C2C(O)CC(C)=CC2c2c(O)cc(CC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.825

InChIKey:
AHQMGDRLQBQHMG-UHFFFAOYSA-N

ID: 118837

SMILES:
C12CC(C)(C)CC3C(C)(Oc4cc(CCCCC)cc(O)c4C13)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.252

InChIKey:
USGHHHQRAYBDHH-UHFFFAOYSA-N

ID: 118838

SMILES:
CC(O)(C1c2c(O)cc(C)cc2OC(C)(CCC(C(=C)C)O)C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -16.451

InChIKey:
DFNZZSUGEHEPOS-UHFFFAOYSA-N

ID: 118839

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.767

InChIKey:
YWLJXBRLCUKNAM-UHFFFAOYSA-N

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118819–118839 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