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Molecule Identifiers
Molecular Properties

ID: 121864

SMILES:
Oc1cc(C)c(C2C=C(C)C(O)C(O)C2C(C)CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.38

InChIKey:
HEJKTUKZJWSHOJ-UHFFFAOYSA-N

ID: 121865

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 121866

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C=O)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -13.401

InChIKey:
SHCXPQADXOWNPL-UHFFFAOYSA-N

ID: 121867

SMILES:
OC1(C)CCC2C(c3c(O)cc(CCC)cc3OC2CC(C)=C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.086

InChIKey:
DXMHLQQTIJQLDX-UHFFFAOYSA-N

ID: 121868

SMILES:
C1(=O)C2C(CCC=C1C)C(C)(C)Oc1cc(CCCO)c(C)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.929

InChIKey:
PTXNQKJCLWIQPH-UHFFFAOYSA-N

ID: 121869

SMILES:
c1(C)c(Br)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 321.258

CB1 binding score: -17.7

InChIKey:
JVAPHQAMSGYOEB-UHFFFAOYSA-N

ID: 121870

SMILES:
C(C(=CCc1c2c(cc(OC)c1)OC(C)(C)C1CCC(C)(CC1)O2)C)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.152

InChIKey:
QCTYUCZVVYYGIU-UHFFFAOYSA-N

ID: 121871

SMILES:
C(O)C=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -18.751

InChIKey:
SVQBWLSSLVMNBD-UHFFFAOYSA-N

ID: 121872

SMILES:
C12C(=CC(C)(C)C1)c1c(cc(CCCC)cc1O)OC(C)(C)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.174

InChIKey:
HEBAPBIFIFEIIJ-UHFFFAOYSA-N

ID: 121873

SMILES:
CC1(C)C=C2c3c(cc(CCCCC)cc3OC)OC(C1=O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.989

InChIKey:
MFQCSRJPVWKFRT-UHFFFAOYSA-N

ID: 121874

SMILES:
C1CC(=C)C2C(c3c(O)cc(CCCCC)cc3O2)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.578

InChIKey:
DTICSVNDGXRPAC-UHFFFAOYSA-N

ID: 121875

SMILES:
C12C(C=C(C)CC1)c1ccc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 121876

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 121877

SMILES:
CC1=CC2c3c(O)c(C(=O)OC)c(CCCCC)c(C)c3OC(C(C)(C)O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -15.302

InChIKey:
KAUYCHVDEWXYGE-UHFFFAOYSA-N

ID: 121878

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 121879

SMILES:
CC1C2=CCC3(C)Oc4cc(CCCCC)cc(O)c4C2C2C(C)(CCCC2=C)CCC13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.664

CB1 binding score: -15.367

InChIKey:
QEXMYSCDWVUQAZ-UHFFFAOYSA-N

ID: 121880

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 121881

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C(O)C2)C(C=C(C)CCC=C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -16.015

InChIKey:
DKFNTTHRFBOCOI-UHFFFAOYSA-N

ID: 121882

SMILES:
C1(C)=CC(=CC(C)=CCc2cc(O)cc(C)c2O)c2c(c(C)c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.523

CB1 binding score: -13.304

InChIKey:
MQRNSGLIQOJBQI-UHFFFAOYSA-N

ID: 121883

SMILES:
C1(C(=C)C)CCC(C)=CC(c2c(O)cc(O)cc2C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.798

InChIKey:
HKYCOYBYTFDXBJ-UHFFFAOYSA-N

ID: 121884

SMILES:
CC(C1CC(=O)C(C)=CC1c1c(O)cc(CCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -17.371

InChIKey:
WSJYCSDGVHMBKB-UHFFFAOYSA-N

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121864–121884 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