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Molecule Identifiers
Molecular Properties

ID: 131797

SMILES:
C1C(C)(C)C(O)C(=O)C=C(C)Oc2cc(CCCCC)cc(OC)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -12.076

InChIKey:
GFEAEPVESNYCKJ-UHFFFAOYSA-N

ID: 131798

SMILES:
c12c(O)cc(CCCCC)cc1OC1(C)CCC(C(C)(C)O)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.714

InChIKey:
WHDCWMKMQFXAGU-UHFFFAOYSA-N

ID: 131799

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131800

SMILES:
C1(C)C(=CC(C(C)C)=O)C(O)=C(C)C(=O)C1(C)c1c(O)c(O)c(C)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.655

CB1 binding score: -16.823

InChIKey:
ZTBLTIUTTQANCV-UHFFFAOYSA-N

ID: 131801

SMILES:
C(C12C3(OC3C(OCC)C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.881

InChIKey:
SCQXNYXHOGGIJI-UHFFFAOYSA-N

ID: 131802

SMILES:
O(C=O)Cc1c2c(ccc1C)C(C)(C)Oc1cc(CCCCCC)cc(O)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.929

InChIKey:
AXTZDDGJBIZDRH-UHFFFAOYSA-N

ID: 131803

SMILES:
c12cc(OC)ccc1OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.007

InChIKey:
YZWBIXHJQIAKLT-UHFFFAOYSA-N

ID: 131804

SMILES:
c12c(c(OC)c(O)c(C=O)c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.984

InChIKey:
DBLIVINFZHJDGL-UHFFFAOYSA-N

ID: 131805

SMILES:
C(C1(C)Oc2c(ccc(CCCCC(=O)C=C)c2)CC1)(=O)C=CC(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.697

InChIKey:
VITZUELTQFIQHC-UHFFFAOYSA-N

ID: 131806

SMILES:
C1=C2c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)C2CCC(C)(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.805

InChIKey:
OQILIGXTZCHTPO-UHFFFAOYSA-N

ID: 131807

SMILES:
CC1(C)OC2=C(C=C1)CC(O)C(C)(C)C2CC=C(C(Cc1ccc(O)cc1)C=C(C)C=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -15.957

InChIKey:
XQUHMJDRKMXBST-UHFFFAOYSA-N

ID: 131808

SMILES:
CC1(C)Oc2c(c(O)cc(O)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 131809

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C2CC(=C)C(O)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -15.957

InChIKey:
WVCGOEFSXJRVSG-UHFFFAOYSA-N

ID: 131810

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.616

InChIKey:
XADHVNDJRGVZCL-UHFFFAOYSA-N

ID: 131811

SMILES:
C(c1cc(O)c(C2(C)OC(C(C)(C)O)CC2)cc1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -15.767

InChIKey:
KZQSZKDBODKNJB-UHFFFAOYSA-N

ID: 131812

SMILES:
c1(O)cc(CCC=CC)cc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.783

InChIKey:
KLHMMUUOWNJWQU-UHFFFAOYSA-N

ID: 131813

SMILES:
O(c1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(CCCCCCCCCCCCCCC)=O)cc1OC)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 568.883

CB1 binding score: -16.042

InChIKey:
WUSWNGFTSIRMER-UHFFFAOYSA-N

ID: 131814

SMILES:
C1(C)(C)Oc2c(cc(O)cc2C)-c2c1cc(CCCC(=C)C)cc2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -15.045

InChIKey:
BTOLZQVSWQIENA-UHFFFAOYSA-N

ID: 131815

SMILES:
C1C2C(C)(C)Oc3c1c(CCCC)c(OC)cc3OC(C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.44

InChIKey:
VKQHGCFREHEJLQ-UHFFFAOYSA-N

ID: 131816

SMILES:
C1C2(C)Oc3cc(CCCCCN=[N+]=[N-])c(I)c(O)c3C2CC(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 481.378

CB1 binding score: -16.772

InChIKey:
COKAKCLIQDOYAJ-UHFFFAOYSA-N

ID: 131817

SMILES:
C1C2C(C)(CCC2C(C)=C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PXLWSVJOMDSCGC-UHFFFAOYSA-N

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131797–131817 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