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Molecule Identifiers
Molecular Properties

ID: 120982

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C=C(C)CCC1C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.608

InChIKey:
FQILBSHXYWCPAM-UHFFFAOYSA-N

ID: 120983

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(=C)C)CCC(C)=C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.929

InChIKey:
OZTGVKJHWRQJAX-UHFFFAOYSA-N

ID: 120984

SMILES:
C12=CC(C(C)(O)C)CCC1(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.74

InChIKey:
YMBCXVBTNSIHCF-UHFFFAOYSA-N

ID: 120985

SMILES:
C12C(C)(CCC1C)CCC1(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.552

InChIKey:
UUDASRWGFGSCPE-UHFFFAOYSA-N

ID: 120986

SMILES:
c1(O)c(OC)ccc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.273

InChIKey:
QQKRWAQYJVGZFH-UHFFFAOYSA-N

ID: 120987

SMILES:
Oc1cc(OC)cc(CCCCCCC)c1C1CC(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.582

CB1 binding score: -14.211

InChIKey:
JEFFHZWXAKWRKJ-UHFFFAOYSA-N

ID: 120988

SMILES:
c1(CC(CCC=C(C)C)(C)O)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -16.438

InChIKey:
NSURMIDAGXUVEH-UHFFFAOYSA-N

ID: 120989

SMILES:
Oc1cc(CC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.957

InChIKey:
JJBMVXFZSLTKCL-UHFFFAOYSA-N

ID: 120990

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1=C(C2=O)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.929

InChIKey:
CXXUVKCVGBXCDF-UHFFFAOYSA-N

ID: 120991

SMILES:
c1c2c(cc(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 120992

SMILES:
CC1Cc2c(c(O)cc(CCCCC)c2)C2CC(C)(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.561

InChIKey:
RKNPWNWMCGJVFY-UHFFFAOYSA-N

ID: 120993

SMILES:
C12Cc3c(O)cc(CC)cc3OC1(C)CCC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.38

InChIKey:
HUAPZMNAFXPSCN-UHFFFAOYSA-N

ID: 120994

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.028

InChIKey:
NKYYTWACWFBSMZ-UHFFFAOYSA-N

ID: 120995

SMILES:
CC(=C)C1C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 313.485

CB1 binding score: -18.294

InChIKey:
GJDVDGGMUGCJGX-UHFFFAOYSA-N

ID: 120996

SMILES:
C1(O)C(O)C(CO)OC(Oc2cc(CCCCC)cc(O)c2C2(C)CCCC2(C)C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.588

CB1 binding score: -14.243

InChIKey:
KVZWCUWCIKMYGT-UHFFFAOYSA-N

ID: 120997

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 120998

SMILES:
c1c(C(C)C)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.792

InChIKey:
XJNQCCLSLVYFNV-UHFFFAOYSA-N

ID: 120999

SMILES:
C(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 121000

SMILES:
Clc1c(O)cc(O)c2c1cc(C1C(C(C)=C)CCC(C)=C1)c(O)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.838

CB1 binding score: -15.239

InChIKey:
ICFVUJITEAYFBY-UHFFFAOYSA-N

ID: 121001

SMILES:
CC1(C)C=CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.055

InChIKey:
CCLDXAUCKWIOKT-UHFFFAOYSA-N

ID: 121002

SMILES:
C(=O)(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CCC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.744

CB1 binding score: -17.096

InChIKey:
RTMUPPSXZKSOCD-UHFFFAOYSA-N

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120982–121002 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