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Molecule Identifiers
Molecular Properties

ID: 104497

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C(=O)CC(O)(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.818

InChIKey:
SHNCBZIKKQVEKM-UHFFFAOYSA-N

ID: 104498

SMILES:
C(Cc1cc(O)c(C2C(C(C)=CCC=C(C)C)CCC2(OC)C)c(OC)c1)CC1(C)C(C)(O)CCC(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.73

CB1 binding score: -16.271

InChIKey:
YNQYINGLOPJSPD-UHFFFAOYSA-N

ID: 104499

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(=O)C)CCCC(C=O)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -14.273

InChIKey:
GKHBRHHACLMNJF-UHFFFAOYSA-N

ID: 104500

SMILES:
C(C)(=Cc1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.014

InChIKey:
OKXGEGYJYKBLKS-UHFFFAOYSA-N

ID: 104501

SMILES:
c1(O)cc(C(CC=C(C)C)OC(=O)C)cc2c1CCC(CCCCC)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.015

InChIKey:
ZPXRPJXVSGRHBM-UHFFFAOYSA-N

ID: 104502

SMILES:
C12Oc3cc(CCCCC)cc(O)c3C1C(C(O)(C=CC=C(C)C)C)CCC2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.859

InChIKey:
CAKBMOHUMGGGDE-UHFFFAOYSA-N

ID: 104503

SMILES:
c1c(O)c(CC=C(C)C)c(OC)cc1CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 104504

SMILES:
CC(C1(O)C2C(OC(C)=O)c3c(O)cc(CCCCC)cc3OC2(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.103

InChIKey:
ARISIWWVJFGBJU-UHFFFAOYSA-N

ID: 104505

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: 104506

SMILES:
C1C(O)C(C)(C)Oc2cc(C)ccc2OC2CC(C)(CC=CC(O)(C)C)C(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.803

InChIKey:
CPJDPLJRZNGYGE-UHFFFAOYSA-N

ID: 104507

SMILES:
C(=C(C)CCC=C(C)CC(C1C(C)(C)O1)=O)Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 386.532

CB1 binding score: Not available

InChIKey:
OCRDJFKTXWASEY-UHFFFAOYSA-N

ID: 104508

SMILES:
C(CC)CCc1cc(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: 104509

SMILES:
C1C2C(C(C)C)CCC2(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.036

InChIKey:
AJUQGRRVAYRRSS-UHFFFAOYSA-N

ID: 104510

SMILES:
C12C(CCC1C)C1(C)Oc3cc(CCCCC)cc(O)c3CC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -12.167

InChIKey:
PWRQBDKJRGFKCK-UHFFFAOYSA-N

ID: 104511

SMILES:
C1C2(C(CC=C(C)C=C)C(C)=CCC2C(C)=C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -13.689

InChIKey:
NPKSACDFPSROCL-UHFFFAOYSA-N

ID: 104512

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 104513

SMILES:
C1(=O)C2(CC=C(C)C)C(=C(C(F)(CC(=O)OC)C(=O)OC)C(C)=C1)CC(C(C)C)C(c1c(O)cc(O)cc1CCCC)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 598.752

CB1 binding score: -8.533

InChIKey:
FVDLCTKKVVMOFU-UHFFFAOYSA-N

ID: 104514

SMILES:
c1(CCC(C)=C)cc(O)c2c(c1O)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -12.063

InChIKey:
GDQHQPMJKKKNFL-UHFFFAOYSA-N

ID: 104515

SMILES:
CC(C)=CCc1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 296.454

CB1 binding score: -16.146

InChIKey:
AFAJYZVMSJWWEA-UHFFFAOYSA-N

ID: 104516

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 104517

SMILES:
CC1(C)OC1CCC1(C)C(O)Cc2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -15.568

InChIKey:
UOBRRILSOZETST-UHFFFAOYSA-N

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104497–104517 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