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Molecule Identifiers
Molecular Properties

ID: 121822

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC1C=CC=CC3=C4C(CCC31C)CC4C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -13.487

InChIKey:
IKCBWKOPLBZUNE-UHFFFAOYSA-N

ID: 121823

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 121824

SMILES:
C1C2C3c4c(O)cc(CCCCC)cc4OC(C)(C)C3C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.438

InChIKey:
SXPVBMXGXYUMFE-UHFFFAOYSA-N

ID: 121825

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121826

SMILES:
C1CC2=C(OC1(CCC(C)C(=O)C)C)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.809

InChIKey:
JEPZDVPCLNDQGV-UHFFFAOYSA-N

ID: 121827

SMILES:
C1C(C)=CC(c2c(O)ccc(CC=C(C)CCC=C(C)C)c2O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.867

InChIKey:
MZEBCEPCJDQEEJ-UHFFFAOYSA-N

ID: 121828

SMILES:
C(CC)CCc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.915

InChIKey:
DOSUSYRDOSWFPM-UHFFFAOYSA-N

ID: 121829

SMILES:
C12CCC3(C)C(O3)C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.791

InChIKey:
VSQGBNUBIDZRPJ-UHFFFAOYSA-N

ID: 121830

SMILES:
C12C(CC(=C)CC1)c1c(O)cc(CCCCCO)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.158

InChIKey:
GIXYHVRDFSRPMA-UHFFFAOYSA-N

ID: 121831

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.502

InChIKey:
BHEVROPTQDJZCW-UHFFFAOYSA-N

ID: 121832

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(CCC=C(C)C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 121833

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121834

SMILES:
c1(O)cc(C)cc(Oc2cc(CCCCC)cc(CC3(C)CCC4C(C)(C)CCCC34C)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.718

CB1 binding score: -13.835

InChIKey:
RYNAPKDCHUPGEC-UHFFFAOYSA-N

ID: 121835

SMILES:
C1CC(C)C2=C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.753

InChIKey:
OAHHZUDLEHBUGH-UHFFFAOYSA-N

ID: 121836

SMILES:
C1C(C)(C(=O)C(=O)C(=CC)C)C(=O)CC2C(C)(C)Oc3c(cc(OC)c(OC)c3)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: -14.735

InChIKey:
UNSVSERQUXNZTD-UHFFFAOYSA-N

ID: 121837

SMILES:
C1(C)=CCC(c2c(O)cc(CCCCC)cc2OC)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.601

InChIKey:
JYMJCCHHSRLRII-UHFFFAOYSA-N

ID: 121838

SMILES:
C(=CCc1c(O)c2c(cc1C)OC(C)(C)C1C2CC(C)=CC1)CC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -14.851

InChIKey:
GTWPGYSXETZYSK-UHFFFAOYSA-N

ID: 121839

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 121840

SMILES:
C(CCc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 121841

SMILES:
C(C=C(C)C)c1c(O)c2c(O)cc3c(c2cc1C)OC(C)(C)C1C3CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -14.428

InChIKey:
LADNPQVAVMBNNX-UHFFFAOYSA-N

ID: 121842

SMILES:
C1(=O)C2C(C)(C)C(C)(CC2)C1Oc1cc(CCCCC)cc(O)c1C(=O)OC(C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.526

InChIKey:
HZXNVPDZFFLPHU-UHFFFAOYSA-N

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121822–121842 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