Browse

Molecule Identifiers
Molecular Properties

ID: 75979

SMILES:
C12(O)C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CC1C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.179

InChIKey:
PDDBCCHNDAESMV-UHFFFAOYSA-N

ID: 75980

SMILES:
CC1(O)C2(C(O)C(C=C(C)C)C1)Oc1c(c(O)cc(CCCCCO)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.709

InChIKey:
PEFZSJGGTCIMCY-UHFFFAOYSA-N

ID: 75981

SMILES:
Oc1cc(C)cc2c1C(C)CCC1C(C)(C)Oc3c4c(cc(O)c3C(N)(C)CCC41)o2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 423.553

CB1 binding score: -13.251

InChIKey:
ASXYERHBZONPIK-UHFFFAOYSA-N

ID: 75982

SMILES:
C1(C)(C)C2(C(=C)C(=O)C=C1)CCC1(C)C(c3c(cc(CCCCC)cc3O)O1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.91

InChIKey:
QFVGCIXHEDSCRR-UHFFFAOYSA-N

ID: 75983

SMILES:
c12c(c(C(c3ccccc3)=O)c(O)c(CC=C(CCC=C(C)C)C)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.679

CB1 binding score: -13.14

InChIKey:
JPZNDGSQUACOQI-UHFFFAOYSA-N

ID: 75984

SMILES:
CC1(C)C2=CC(=O)C(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.611

InChIKey:
UZBABWDLJQUNCM-UHFFFAOYSA-N

ID: 75985

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 75986

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 75987

SMILES:
C(C1=C(O)C(CC=C(CCC=C(C)C)C)(C)Oc2cc(CCCCC)cc(O)c21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.176

InChIKey:
FOKNLWUEFRCSHC-UHFFFAOYSA-N

ID: 75988

SMILES:
CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 75989

SMILES:
CC1=CC2C(CC1=O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 75990

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 75991

SMILES:
C1(C(C)C)C2(O)CC(O)C(C)(CC1)Oc1c2c(O)cc(CCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.244

InChIKey:
WTFYHUKWCOKYNA-UHFFFAOYSA-N

ID: 75992

SMILES:
C1(CCCCC)=C(O)C2C(CC1)C(C)CC(C=C(C)C)=C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -15.969

InChIKey:
WMQKPLHJHZIJCA-UHFFFAOYSA-N

ID: 75993

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCN)c2)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 271.404

CB1 binding score: -17.581

InChIKey:
YYKAXEGQUNPWQR-UHFFFAOYSA-N

ID: 75994

SMILES:
O(c1c(CC=C(C)C)c(O)cc(CCCCC)c1)C(=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.614

InChIKey:
RTFRSXSQUQOXEP-UHFFFAOYSA-N

ID: 75995

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.815

InChIKey:
KQEPEOVZIAHBHQ-UHFFFAOYSA-N

ID: 75996

SMILES:
O1C2C3C(C)(C)CCCC13c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.75

InChIKey:
RUYOAXRXJPZYQT-UHFFFAOYSA-N

ID: 75997

SMILES:
Cc1c(C)c(O)c2c(c1OC)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.254

InChIKey:
RMPOFKZJTPGFCM-UHFFFAOYSA-N

ID: 75998

SMILES:
C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 75999

SMILES:
C1(C)C(C)(C)C(c2c(O)cc(CCCCC)cc2O)C2OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.226

InChIKey:
AXYOGQRFIHVODB-UHFFFAOYSA-N

3616361736183619362036213622
75979–75999 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