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Molecule Identifiers
Molecular Properties

ID: 63526

SMILES:
C1c2c(cc(CCC)cc2O)C=C(C)C12C(C)(O)CC(C=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.591

InChIKey:
XPSWZPFKYSGMKJ-UHFFFAOYSA-N

ID: 63527

SMILES:
C(Cc1cc(O)c(C2C(C(=C)CO)CCC2(C)O)c(O)c1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.712

InChIKey:
BGEMASWUNKOCAG-UHFFFAOYSA-N

ID: 63528

SMILES:
OC1C(C)(C)Oc2cc(CCCCC)c(O)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -15.746

InChIKey:
GMJYEHHHNKOVCM-UHFFFAOYSA-N

ID: 63529

SMILES:
Oc1c(O)c2c(cc1CO)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.792

InChIKey:
QHZDXEDKQVIHOT-UHFFFAOYSA-N

ID: 63530

SMILES:
CC1(C)C2=CC(C(=CCc3cc(OC)cc(C)c3O)C)OC2(C)CC(=O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.75

InChIKey:
IYFYUBIJSOGZMN-UHFFFAOYSA-N

ID: 63531

SMILES:
CC1=CC2C(C(C)(C)Oc3c(O)c(OC)c(C(=O)C(C)C)cc32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.538

InChIKey:
LKFVHBCGNLJESS-UHFFFAOYSA-N

ID: 63532

SMILES:
C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 63533

SMILES:
Cc1c(C(=O)O)c(O)c2c(c1)OC(CCC=C(C)C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.358

InChIKey:
AJFXJTNPRRPPLL-UHFFFAOYSA-N

ID: 63534

SMILES:
c1(OC)c2c(c3c(c1)C(=O)OC3)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -14.846

InChIKey:
GNURIBCJJLHGFS-UHFFFAOYSA-N

ID: 63535

SMILES:
C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC(C(C)=C)CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.736

InChIKey:
UYQGCMGUVRGCBI-UHFFFAOYSA-N

ID: 63536

SMILES:
CC1(C)C2CC3c4c(O)cc(CCC)cc4OC(C)(CCC12)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -12.907

InChIKey:
DIDFWFNYQNYQHC-UHFFFAOYSA-N

ID: 63537

SMILES:
C1(C)(C)Oc2c(c(O)c(CC=C(C)C)c(O)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.684

InChIKey:
UMGKUBBSMWRDJD-UHFFFAOYSA-N

ID: 63538

SMILES:
CC1(C)C2C(C(=O)OC)(c3c(cc(CCCCC)c(O)c3O)OC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -15.427

InChIKey:
WCWLCTSIFRORMJ-UHFFFAOYSA-N

ID: 63539

SMILES:
CCCCCc1cc2c(c(O)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: 63540

SMILES:
CC1(C)Oc2c(c(O)cc3c2cc(O)cc3)C2C1CC=C(CO)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.392

CB1 binding score: -14.604

InChIKey:
JAVURJJNKYLLBI-UHFFFAOYSA-N

ID: 63541

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3C(C(C)C)(O)CCC(C)C3=CC1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.494

InChIKey:
GUZUZZOVEDLOOA-UHFFFAOYSA-N

ID: 63542

SMILES:
Oc1ccc2c(c1)-c1c(C)c(CC)c(C)c(O)c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -14.744

InChIKey:
GPHQZLHZQMJAIR-UHFFFAOYSA-N

ID: 63543

SMILES:
Oc1c(C2C(C(O)(CO)CO)CCC2=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -13.825

InChIKey:
YFTAOOKCBBRNDW-UHFFFAOYSA-N

ID: 63544

SMILES:
C(C1C2Oc3c(c(O)cc(CCCCC)c3)C2C2C(CC1)C2(C)C)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.012

InChIKey:
WSBGQTWRVLFZAO-UHFFFAOYSA-N

ID: 63545

SMILES:
O(C1CC2(C(O)(C)C)C3(C)C1c1c(cc(CCCCC)cc1O2)O3)C(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -11.65

InChIKey:
YDQKPNGITVARKH-UHFFFAOYSA-N

ID: 63546

SMILES:
C1C2C(C)(C)Oc3cccc(C(=O)O)c3C2C=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -16.769

InChIKey:
FAQFXBKIJXNDII-UHFFFAOYSA-N

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63526–63546 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