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Molecule Identifiers
Molecular Properties

ID: 133015

SMILES:
Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.438

InChIKey:
ZZIHKMFRFFWSGX-UHFFFAOYSA-N

ID: 133016

SMILES:
C(CCC=C(C)C)(CNC(=O)C(C)(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 467.65

CB1 binding score: -14.632

InChIKey:
VEBMNZGYVPGDFY-UHFFFAOYSA-N

ID: 133017

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 133018

SMILES:
C1CC2C(C)(C)OC1(C)C1(O)C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.929

InChIKey:
RVXVIIBLVUPHQG-UHFFFAOYSA-N

ID: 133019

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133020

SMILES:
C1(C)CC2C(c3c(O)cc(CCC)cc3OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.563

InChIKey:
ALWQZEWNOHCCTP-UHFFFAOYSA-N

ID: 133021

SMILES:
Oc1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 133022

SMILES:
O(C)C(=O)c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -19.567

InChIKey:
RSOBBJCWWQRAAM-UHFFFAOYSA-N

ID: 133023

SMILES:
c12cc(CC=C)cc(O)c1C1C(CC=C(CCC=C(C)C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -16.324

InChIKey:
RBWHQMFLAYJISV-UHFFFAOYSA-N

ID: 133024

SMILES:
CC1(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 133025

SMILES:
c1cc(CCCC(C)=CC23C(=O)C(CC4OC4(C)C)(C2O)CCC(C)(C)O3)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.605

InChIKey:
BVNJYXAUVSJAHQ-UHFFFAOYSA-N

ID: 133026

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: 133027

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.441

InChIKey:
UKTGXEQHQBLPRE-UHFFFAOYSA-N

ID: 133028

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.417

InChIKey:
QUNJGLVEZMLKDJ-UHFFFAOYSA-N

ID: 133029

SMILES:
C(c1c(O)cc(CCCCC)cc1O)(CC=C(C)CCC=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.45

InChIKey:
YCXDHNCJAHUUIJ-UHFFFAOYSA-N

ID: 133030

SMILES:
C(C)(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.691

InChIKey:
KPWQKISFFRLQGK-UHFFFAOYSA-N

ID: 133031

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: 133032

SMILES:
c1(OC)cc(CCCCC)cc2c1-c1c(cc(CCCCC)cc1O)CCC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -16.438

InChIKey:
HBBQQPBTVLXQMV-UHFFFAOYSA-N

ID: 133033

SMILES:
C(CC=C(C)C)C(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.943

InChIKey:
QOVOSRUONCHPIN-UHFFFAOYSA-N

ID: 133034

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -14.324

InChIKey:
NOAMQEUJJLXMSJ-UHFFFAOYSA-N

ID: 133035

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)(O)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

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133015–133035 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