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Molecule Identifiers
Molecular Properties

ID: 106786

SMILES:
CC1(C(=O)O)CC2C(=O)C(C)CC=C2C1=CC(=CCCC(C)=CCc1cc(O)cc(C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.602

CB1 binding score: -12.767

InChIKey:
QMRULCUKBAQRPS-UHFFFAOYSA-N

ID: 106787

SMILES:
C1(C(=C)C)CCC(C)=CC1=C(c1cc(CCCCC)cc(CC=C(C)C)c1OC(C)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.664

CB1 binding score: -16.17

InChIKey:
AFQZKNXVEHZHIV-UHFFFAOYSA-N

ID: 106788

SMILES:
O(c1c(CCC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.133

InChIKey:
OVHGPKYYRZYZQS-UHFFFAOYSA-N

ID: 106789

SMILES:
C1(=C)CCC(O)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -13.545

InChIKey:
HENVEJJTGCPMFT-UHFFFAOYSA-N

ID: 106790

SMILES:
Oc1c(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: 106791

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=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: 106792

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCc2cc(O)cc(O)c2)cc1O

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 380.484

CB1 binding score: -17.127

InChIKey:
FYCNULBTDRBWDY-UHFFFAOYSA-N

ID: 106793

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.401

InChIKey:
VUKUZKSYXNLTPC-UHFFFAOYSA-N

ID: 106794

SMILES:
Cc1cc(OC(C(C)=CC)=O)c(C2C=C(C)C(O)CC2C(C)=C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.004

InChIKey:
MLIHKNQNHDPSDY-UHFFFAOYSA-N

ID: 106795

SMILES:
C12=C(CCC(C)C1)C(C)(C)Oc1cc(CCCCC)cc(OC)c1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.597

InChIKey:
LILHRRLNULSXRX-UHFFFAOYSA-N

ID: 106796

SMILES:
C(c1cc(O)c(C2C(C(C)C)CCC(C)C2)cc1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.475

CB1 binding score: -21.341

InChIKey:
ACXIVYYRJFJYHU-UHFFFAOYSA-N

ID: 106797

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 106798

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.902

InChIKey:
SAIXNCMZRXBVLJ-UHFFFAOYSA-N

ID: 106799

SMILES:
C1(O)C2=CC(C3C(C)(CCC4C(C)(C)Oc5cc(CCCCC)cc(O)c5C42)O3)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.591

InChIKey:
BPFJGSGLOKDIRE-UHFFFAOYSA-N

ID: 106800

SMILES:
Oc1c(CCCCC)cc2c(c1)OC(C)(C)C1CCC=C(C)C1=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.959

InChIKey:
BYEJQXQCAXUEJJ-UHFFFAOYSA-N

ID: 106801

SMILES:
CC1(C)CC2C(C1)C(=O)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.002

InChIKey:
AALZHRUFMYBXET-UHFFFAOYSA-N

ID: 106802

SMILES:
c1(C(C)C)c(O)c(C(O)=O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.497

InChIKey:
QEXBCOKSNULLBA-UHFFFAOYSA-N

ID: 106803

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 106804

SMILES:
C1(C)=CC2C(CC1O)C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 274.36

CB1 binding score: -17.694

InChIKey:
KDZKTWRIFRUSPJ-UHFFFAOYSA-N

ID: 106805

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 106806

SMILES:
Oc1cc2c(c(O)c1CCCCC)C1CC(C)(O2)CCCC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.149

InChIKey:
YBQRAHXTJFQWKE-UHFFFAOYSA-N

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106786–106806 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