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Molecule Identifiers
Molecular Properties

ID: 103069

SMILES:
C1(C)C2CCC(C(O)=O)=CC2c2c(cc(CCCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.378

InChIKey:
UEFAVZZIBJWKDT-UHFFFAOYSA-N

ID: 103070

SMILES:
C1(C)=CCCC(C)=CCCC(C=O)=CC1CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -18.09

InChIKey:
OJTNJUQIYHCSQP-UHFFFAOYSA-N

ID: 103071

SMILES:
C(c1cc(O)c(O)c(OC(=O)C)c1)CCC(CCC=C(C)C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -17.19

InChIKey:
VGKIHXXCAQADCP-UHFFFAOYSA-N

ID: 103072

SMILES:
C1=C(C(O)=O)CCC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.63

InChIKey:
XKJHMRMUZXJASC-UHFFFAOYSA-N

ID: 103073

SMILES:
C(=C(CCC=C(C)C)C)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 103074

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -16.438

InChIKey:
IXMOYMPOOKCMIG-UHFFFAOYSA-N

ID: 103075

SMILES:
c1(O)c2c(c(O)cc1CC=C(C)C)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.924

InChIKey:
DWYFZRNERFHIOE-UHFFFAOYSA-N

ID: 103076

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(CCc2ccc(O)cc2)C1CCc1ccccc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.669

CB1 binding score: -17.64

InChIKey:
ABOSUSDRXQNXCN-UHFFFAOYSA-N

ID: 103077

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.364

CB1 binding score: -18.858

InChIKey:
FCEJYUOQVZGCIK-UHFFFAOYSA-N

ID: 103078

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 103079

SMILES:
C(C1(C)Oc2c(cc(OC(=O)C)c(C)c2)C=C1)CC=C(CCCC(C)(C)O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.85

InChIKey:
PFVOJYWVKCWHBA-UHFFFAOYSA-N

ID: 103080

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 103081

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.649

InChIKey:
YURDJBGSSPXBGX-UHFFFAOYSA-N

ID: 103082

SMILES:
C(CCC(C)=C)C1(C)C2CC(OC(=O)C)C(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.034

InChIKey:
SVIPXOGMSXVWLV-UHFFFAOYSA-N

ID: 103083

SMILES:
C1C(C)(CCC2(C)C=Cc3c(O)cc(C)cc3O2)OCc2c1cccc2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -14.94

InChIKey:
IPVAEMREQDBKNY-UHFFFAOYSA-N

ID: 103084

SMILES:
c1(O)c2c(O)cc(O)cc2c2c(c1C)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -15.152

InChIKey:
XVSAZKNWZSNGEH-UHFFFAOYSA-N

ID: 103085

SMILES:
C(C1(C)OC1CCC(C)=CCc1c(O)cc(CCCCC)cc1O)=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -10.785

InChIKey:
BNWPTQYPSLEZBX-UHFFFAOYSA-N

ID: 103086

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.417

InChIKey:
WKNDXJXENAPUOX-UHFFFAOYSA-N

ID: 103087

SMILES:
C(Cc1cc(O)c(CC2C(C)(C)CCCC2=C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.502

InChIKey:
JPHATLGJZUGJEO-UHFFFAOYSA-N

ID: 103088

SMILES:
C1C(O)(C)C(O)C2(CC(C)(C)C=CCC3(C)Oc4c(c(O)cc(CCCCC)c4)CC32)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -13.821

InChIKey:
QXSVYYDZFSYQTK-UHFFFAOYSA-N

ID: 103089

SMILES:
c1(O)c(C)cc(OC)cc1COCOC1C(C)(CCc2ccc(O)cc2)C(C(=C)C)CCC1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -15.658

InChIKey:
CKKSUCFDKPOQNS-UHFFFAOYSA-N

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103069–103089 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