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Molecule Identifiers
Molecular Properties

ID: 128710

SMILES:
C12C(C)=CC3C(C(C)=C1)Oc1c(cc(CCCCC)cc1O)C2C(C)CO3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -12.842

InChIKey:
YURAYYZDBLIEGJ-UHFFFAOYSA-N

ID: 128711

SMILES:
C1C(C(C)=C)CCC2(C)CC3c4c(cc(CCCCC)cc4OC)OC(C)(C21)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -14.876

InChIKey:
YQIKHIFGMPDEPB-UHFFFAOYSA-N

ID: 128712

SMILES:
c12c(O)cc(CCC)cc1C1C(C(C)(C)O2)CC(O)C(C)=C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.724

InChIKey:
RQVWCGDYADAODO-UHFFFAOYSA-N

ID: 128713

SMILES:
c1c(CCCCC)cc2c(c1OC)C1(C)CCCC1(C)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: Not available

InChIKey:
BRRKQFOVMZGEEG-UHFFFAOYSA-N

ID: 128714

SMILES:
C1(CO)OC(Oc2cc(CC=C(CCC=C(C)C)C)c(O)cc2CC=C(C)C)C(O)C(O)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.61

CB1 binding score: -17.977

InChIKey:
ACBOYBKFSKMFMY-UHFFFAOYSA-N

ID: 128715

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)(O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 128716

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 128717

SMILES:
C(CC=C(C)C)C1(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: 128718

SMILES:
Clc1c(OC)cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.833

CB1 binding score: -17.14

InChIKey:
DHNLPKHGSADTJZ-UHFFFAOYSA-N

ID: 128719

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 128720

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(O)C(C)(C)OC1(C(C)C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.802

InChIKey:
BRYJYUJDUNKBMK-UHFFFAOYSA-N

ID: 128721

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 128722

SMILES:
C1N2C(c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC=C(C)C)C=C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 411.63

CB1 binding score: -14.109

InChIKey:
ZGPUFGJUDPNIIP-UHFFFAOYSA-N

ID: 128723

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)(O)C=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.296

InChIKey:
FZAGTOJLWTUWJG-UHFFFAOYSA-N

ID: 128724

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C1O)C(C)(C)CCC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.327

InChIKey:
FTFZASZQZRCUQX-UHFFFAOYSA-N

ID: 128725

SMILES:
Oc1c(OC)c(C(COC)COC(=O)C)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.503

CB1 binding score: -14.744

InChIKey:
KJZDMFAKGXYGOL-UHFFFAOYSA-N

ID: 128726

SMILES:
c12c(c(O)c(OC)cc1CO)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.986

InChIKey:
CICCLSDBSBLXJP-UHFFFAOYSA-N

ID: 128727

SMILES:
c1c(OC(O)C)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -12.285

InChIKey:
HARCDUGCZZENRJ-UHFFFAOYSA-N

ID: 128728

SMILES:
C(C)(=CCc1cc(O)cc(CC)c1O)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.296

InChIKey:
AOHZVNAOWOSDFO-UHFFFAOYSA-N

ID: 128729

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)=CC3C=C(C)C(CC=C(C)C)O3)(C(OC)=CC1=O)CC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.749

CB1 binding score: -15.549

InChIKey:
CMVDXCAQMNYROS-UHFFFAOYSA-N

ID: 128730

SMILES:
c1c(CC(C)(C)OC)c(O)c(OC)c2c1-c1c(ccc(CCCCC)c1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -13.213

InChIKey:
TYRXJGFABCEFJP-UHFFFAOYSA-N

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128710–128730 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