Browse

Molecule Identifiers
Molecular Properties

ID: 93787

SMILES:
CC(O)(C1Oc2c(c(OC)cc(CCCCC)c2)C(=O)C1(C)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: Not available

InChIKey:
VBNIXPUIDNAAAP-UHFFFAOYSA-N

ID: 93788

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(O)(C)C=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.25

InChIKey:
PGZISGZFEFJPOZ-UHFFFAOYSA-N

ID: 93789

SMILES:
c12c(c(CCCC)cc(O)c1)OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.328

InChIKey:
KWMFVCYQLSCJSU-UHFFFAOYSA-N

ID: 93790

SMILES:
CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 93791

SMILES:
C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -16.043

InChIKey:
PHTKKXAFFNTXQJ-UHFFFAOYSA-N

ID: 93792

SMILES:
C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 93793

SMILES:
c12c(cc(C(CO)C)c(O)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.327

InChIKey:
PBPNDANBLNSLCB-UHFFFAOYSA-N

ID: 93794

SMILES:
O=C1COc2c3c(cc(CCCCC)c2)OC(C)(C)C2CC(O)C(C)C(CC21)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -14.605

InChIKey:
DDPMKGBQLCOHRD-UHFFFAOYSA-N

ID: 93795

SMILES:
O1C(c2c(O)cc(CCCCC)cc2O)C2C(C(=CC)C1O)C(C(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.341

InChIKey:
PHTCTIQSAMIBLF-UHFFFAOYSA-N

ID: 93796

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 93797

SMILES:
C(CCC)c1cc(O)c2c(c1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.601

InChIKey:
ILYGJBNUPSYXEP-UHFFFAOYSA-N

ID: 93798

SMILES:
C(C)=C(C(=O)Cc1c(O)c2c(c(C(C(CC)C)=O)c1O)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -14.936

InChIKey:
LNYCLUUGZYUDBP-UHFFFAOYSA-N

ID: 93799

SMILES:
C1(C)(C)C2CCC(C)C23c2c(O)cc(CCCCC)c(O)c2OC1C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: Not available

InChIKey:
RSZRSOJIVSOLDL-UHFFFAOYSA-N

ID: 93800

SMILES:
Oc1cc2c(c(C)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.472

InChIKey:
MRMJKDJYMLWPGM-UHFFFAOYSA-N

ID: 93801

SMILES:
C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 93802

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(CC1C(O)C(O)C(O)C(CO)O1)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.464

CB1 binding score: -17.501

InChIKey:
OGEDQTOJSKPVMV-UHFFFAOYSA-N

ID: 93803

SMILES:
C1C(C)=CCCC2(C)Oc3c(c(OC)cc(CCC)c3)C(=O)C2(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.183

InChIKey:
CJESMRHKXAYQKZ-UHFFFAOYSA-N

ID: 93804

SMILES:
C(CCC)Cc1cc(O)c(C2CC(C)=CCC2C(C)(CCC=C(C)C(O)=O)O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -11.925

InChIKey:
YINSOAYJZZSFQS-UHFFFAOYSA-N

ID: 93805

SMILES:
c12c(c(O)cc(CCCCC)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: 93806

SMILES:
c12c(c(CC=C(CCC=C(C)C)C)ccc1OC)cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.784

InChIKey:
ACJHIHANZDHNGU-UHFFFAOYSA-N

ID: 93807

SMILES:
C=C(C)C1C(c2c(O)c(OC(=O)C)c(CCCCC)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.454

InChIKey:
YJKPOGNJXNPXQL-UHFFFAOYSA-N

◀4464446544664467446844694470▶
93787–93807 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