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Molecule Identifiers
Molecular Properties

ID: 53236

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.181

InChIKey:
LMORVOHXXOQEMG-UHFFFAOYSA-N

ID: 53237

SMILES:
CC1(C)CCCC23COC(C)(C)C2CC=C2C13Oc1c(c(O)cc(COC(CC(CC)C)=O)c1)C2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.66

CB1 binding score: -14.532

InChIKey:
YFFDOYOYSJRDJS-UHFFFAOYSA-N

ID: 53238

SMILES:
c12c(cc(O)cc1)OC(C)(C)C1CC(OC(C)=O)C(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.321

InChIKey:
BFZQOFQRRRIWQV-UHFFFAOYSA-N

ID: 53239

SMILES:
C(O)(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -18.073

InChIKey:
SPEPNSOFWZXKAW-UHFFFAOYSA-N

ID: 53240

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(O)c3C(=O)CC(C)(C)O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.238

InChIKey:
RYRGRDBKHZQBNV-UHFFFAOYSA-N

ID: 53241

SMILES:
C(CC)CCCc1cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.509

InChIKey:
COTRHXCUQMVHOA-UHFFFAOYSA-N

ID: 53242

SMILES:
OC(c1c(C)ccc2c1OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.219

InChIKey:
YBDMVZSRRKIWJW-UHFFFAOYSA-N

ID: 53243

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.998

InChIKey:
KAQRYDKQGRYUSV-UHFFFAOYSA-N

ID: 53244

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 53245

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CC1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.005

InChIKey:
UBQAYHYZVQWKPC-UHFFFAOYSA-N

ID: 53246

SMILES:
CC(=CCCc1cc2c(c(O)c1)C=CC(C)(C)O2)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.296

InChIKey:
VIUICZTZKDUJTC-UHFFFAOYSA-N

ID: 53247

SMILES:
Cc1c2c(cc(CCCC)c1)OC(C=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: Not available

InChIKey:
QPUDKNKCAZEHPP-UHFFFAOYSA-N

ID: 53248

SMILES:
CC(CCC=C(CCC(O)C(C)(O)C)C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.618

CB1 binding score: -18.948

InChIKey:
QUDBUZBIAGHUEP-UHFFFAOYSA-N

ID: 53249

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 53250

SMILES:
CC(CCc1c(O)c2c(cc1O)C1C=C(CO)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.446

InChIKey:
FONABRZEEHYIJG-UHFFFAOYSA-N

ID: 53251

SMILES:
CC(=CCC1C(C)(C)Oc2c(C(C)CC)c(O)c3c(c21)C1C(C(C)(C)O3)CC(C(C)=C)C(C)(C)C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.76

CB1 binding score: -15.91

InChIKey:
MXHQKQZNBDEYCN-UHFFFAOYSA-N

ID: 53252

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 53253

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3OC)OC1(C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.539

InChIKey:
KDMMJLYGLJTXJZ-UHFFFAOYSA-N

ID: 53254

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 53255

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(Br)c1O)C=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 473.495

CB1 binding score: -15.069

InChIKey:
FTTZHGRIUCITPY-UHFFFAOYSA-N

ID: 53256

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties