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Molecule Identifiers
Molecular Properties

ID: 121507

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.413

InChIKey:
IYXFKMXRIGKEQN-UHFFFAOYSA-N

ID: 121508

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.182

InChIKey:
BVHRCZARADNROI-UHFFFAOYSA-N

ID: 121509

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC=C(CCC=C(C)C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.428

InChIKey:
GQAATKYJGSJTBE-UHFFFAOYSA-N

ID: 121510

SMILES:
CC1(OO)C=C2C(C(C)(C)Oc3cc(C)cc(O)c32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.097

InChIKey:
KWYMQQLPRDZIRT-UHFFFAOYSA-N

ID: 121511

SMILES:
C(CCCCC)c1cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.246

InChIKey:
JESRUXPFPMTPIY-UHFFFAOYSA-N

ID: 121512

SMILES:
Cc1cc(O)c2c(c1)OC1(C)C(C2C)C(O)=C(C)C(=O)C1C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.929

InChIKey:
YGEVKRAMAVANCH-UHFFFAOYSA-N

ID: 121513

SMILES:
O(C1OC(CO)C(O)C(O)C1O)c1cc(CCCCC)cc(O)c1C1CC(C)CCC1C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.642

CB1 binding score: -17.245

InChIKey:
FPKXMWAECQSIOW-UHFFFAOYSA-N

ID: 121514

SMILES:
CC1=CC2C(CC1)C(C)(C)Oc1cc(CC[N+](C)(C)C)cc(c1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.52

CB1 binding score: -16.042

InChIKey:
JOWJADVOJIVRCS-UHFFFAOYSA-N

ID: 121515

SMILES:
C1(C)(C)C2(CC=C(C=O)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.343

InChIKey:
JSWSTHPTTOPODK-UHFFFAOYSA-N

ID: 121516

SMILES:
CC1COc2cc(CCCCC=O)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.295

CB1 binding score: -13.947

InChIKey:
IDUFXRUIINKWEL-UHFFFAOYSA-N

ID: 121517

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.068

InChIKey:
CPZWKXRSBORARS-UHFFFAOYSA-N

ID: 121518

SMILES:
C(C)(C)C(C)c1c(O)c2c(cc1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.502

InChIKey:
WZANEXGUHHDPKE-UHFFFAOYSA-N

ID: 121519

SMILES:
CC(C)C(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.015

InChIKey:
NYHHPXOAKCSAEO-UHFFFAOYSA-N

ID: 121520

SMILES:
Oc1c(C2CC(=O)C=C2)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -15.648

InChIKey:
MZPUGVKBJAXDFG-UHFFFAOYSA-N

ID: 121521

SMILES:
C12=C(C(Br)COC1=O)C(=O)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 423.303

CB1 binding score: -16.475

InChIKey:
ULARANOIZOUEKM-UHFFFAOYSA-N

ID: 121522

SMILES:
OC(C)(C)CCCC(C)(c1cc2c(cc1O)CC(O)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -14.465

InChIKey:
JSUCSXZNBXWMNQ-UHFFFAOYSA-N

ID: 121523

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121524

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.051

InChIKey:
TXLIVWXFPYVBTA-UHFFFAOYSA-N

ID: 121525

SMILES:
C(=C(CCC=C(C)C)C)CC12c3c(c(C(O)=O)c(CCCCC)cc3O)OC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -16.502

InChIKey:
FPVQVIWVTYMDMX-UHFFFAOYSA-N

ID: 121526

SMILES:
C(=O)(C)OC1c2c(O)cc(C)cc2OC(C)(C)C=CCC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.71

InChIKey:
HWRBOYPMSAMKEV-UHFFFAOYSA-N

ID: 121527

SMILES:
c12c(cccc1)OC(C)(C)C1C(C2=O)C(=C)CC2C(C2(C)OCC)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.116

InChIKey:
NJCNPMKYOAMZJP-UHFFFAOYSA-N

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121507–121527 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