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Molecule Identifiers
Molecular Properties

ID: 103783

SMILES:
C1(c2c(O)c(OC)ccc2CCC(=O)O)C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.174

InChIKey:
BTWXZTNVDUEZHF-UHFFFAOYSA-N

ID: 103784

SMILES:
c1(C(C)(C)O)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.502

InChIKey:
YHMOBYSYRNJHGA-UHFFFAOYSA-N

ID: 103785

SMILES:
C(=Cc1ccccc1)C(OC1C(c2c(OC)cc(CCCCC)cc2OC)C=C(C(OC)=O)CO1)(O)C1(O)CCC(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 596.717

CB1 binding score: -13.414

InChIKey:
QUSYMZHOSICYCR-UHFFFAOYSA-N

ID: 103786

SMILES:
C(C(O)C=C(C)CCC=C(C)C)C1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.041

InChIKey:
WIIZGBZBXSENQL-UHFFFAOYSA-N

ID: 103787

SMILES:
C1C(C)=CC2c3cc(CC=C)c(OC)cc3OC(C)(C)C2C1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.294

InChIKey:
IWARWYNKULKUEG-UHFFFAOYSA-N

ID: 103788

SMILES:
C(C)(CCC=C(C)C)=CCCc1cc(O)c2c(c1)OC(C)(C)C1=CC(O)C(C)(O)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -16.081

InChIKey:
IEGJZAMKUXQFDL-UHFFFAOYSA-N

ID: 103789

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(CO)CCC2(O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -12.395

InChIKey:
CSMRERGOIDRXIW-UHFFFAOYSA-N

ID: 103790

SMILES:
C1(C(O)(C)C)CCC2(C)Oc3c(c(O)cc(C(C)CC)c3OC)CC2C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -13.809

InChIKey:
TZRJWHAJBGFNLJ-UHFFFAOYSA-N

ID: 103791

SMILES:
C(=C)CCc1cc(O)c2c(c1)OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -13.497

InChIKey:
AAJXKYWDPBQIER-UHFFFAOYSA-N

ID: 103792

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 103793

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)=CC3OC(=O)C(C)=C3CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -11.85

InChIKey:
LOFRZEYTTJLLPN-UHFFFAOYSA-N

ID: 103794

SMILES:
C12C(=O)C(O)C(C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.502

InChIKey:
NMVBXOBROLBNBZ-UHFFFAOYSA-N

ID: 103795

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.375

InChIKey:
MOPALZBGIJDIIK-UHFFFAOYSA-N

ID: 103796

SMILES:
Clc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.78

CB1 binding score: -18.721

InChIKey:
BBJSROUQLWANSL-UHFFFAOYSA-N

ID: 103797

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)ccc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.498

CB1 binding score: -15.929

InChIKey:
GCJXYKKMGJJRDH-UHFFFAOYSA-N

ID: 103798

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.756

InChIKey:
UTMFPJGLRYTCDC-UHFFFAOYSA-N

ID: 103799

SMILES:
OC(C1(C)CC2C3(c4c(cc(CCCC)cc4O)OC3(C)CC1)C(=O)C=C2C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -15.886

InChIKey:
NSEQIAARDWZYQV-UHFFFAOYSA-N

ID: 103800

SMILES:
C(O)C(C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.607

InChIKey:
VEHHNMZLUVOLET-UHFFFAOYSA-N

ID: 103801

SMILES:
O=C1CC2C(C)(C)C3(C1(C)CC2)Oc1c(CCCCC)cc2c(c13)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.929

InChIKey:
OIYKGOMZJBKRFT-UHFFFAOYSA-N

ID: 103802

SMILES:
C1c2c(O)c(C(OC)=O)cc(CCCCC)c2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -12.449

InChIKey:
QEGLGBOQLDPJNP-UHFFFAOYSA-N

ID: 103803

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.809

InChIKey:
XBGWWQHSCXHGSS-UHFFFAOYSA-N

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103783–103803 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