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Molecule Identifiers
Molecular Properties

ID: 124678

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124679

SMILES:
C1C(C)=CC2(CC=C(C)CCC=C(CCC=C(C)CO)C)CC1OC(c1c(O)cc(CCCCC)cc1O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.797

CB1 binding score: -15.097

InChIKey:
QBFGIZQUUWQAMP-UHFFFAOYSA-N

ID: 124680

SMILES:
C1(C)(C)C2CCC(C(=O)O)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 124681

SMILES:
OC(C(=C)C1CCC2(C)C1c1c(c(CCCCC)cc(O)c1)O2)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.814

InChIKey:
JNSGUIXQRUZZQS-UHFFFAOYSA-N

ID: 124682

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: 124683

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 124684

SMILES:
C(C(CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.839

InChIKey:
IDQXZJCUKGHUIK-UHFFFAOYSA-N

ID: 124685

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 124686

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)C(C)=CC(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.389

InChIKey:
SBRQIFJAOVCAQC-UHFFFAOYSA-N

ID: 124687

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3OC2OC)C(=O)C(C(C(CC)C)=O)=C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -15.562

InChIKey:
NJPWDXPKHXEXTO-UHFFFAOYSA-N

ID: 124688

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124689

SMILES:
c1(CC=C(C)C)c(O)cc(CCCCC)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.973

InChIKey:
YDGRWZYIGXWTHP-UHFFFAOYSA-N

ID: 124690

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)cc(CC=C(C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.364

InChIKey:
GSPLFILKQXXBKL-UHFFFAOYSA-N

ID: 124691

SMILES:
C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1CC(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 124692

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 124693

SMILES:
C(CCCC)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124694

SMILES:
C(CC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.594

InChIKey:
MVQCKSNKCFKCOR-UHFFFAOYSA-N

ID: 124695

SMILES:
c12c3c(c(C)cc1)CCC(C(C)(C)O2)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 202.297

CB1 binding score: -17.753

InChIKey:
WUOGCWCOFRBZNZ-UHFFFAOYSA-N

ID: 124696

SMILES:
Oc1cc(C2C(C(C)=CCC=C(C)C)CCC(C)C2=O)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.587

InChIKey:
SODZRYDOSASHNM-UHFFFAOYSA-N

ID: 124697

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 124698

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -21.105

InChIKey:
SVTKBAIRFMXQQF-UHFFFAOYSA-N

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124678–124698 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