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Molecule Identifiers
Molecular Properties

ID: 119155

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2-c2cc(C(=O)OC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -12.092

InChIKey:
RMKCVARGMWISCH-UHFFFAOYSA-N

ID: 119156

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.613

InChIKey:
RKOIUXRZQYMKLO-UHFFFAOYSA-N

ID: 119157

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 119158

SMILES:
c1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 119159

SMILES:
C1(O)(C(C(C)=C)C)c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.408

InChIKey:
ORMNBLZVGLTYIB-UHFFFAOYSA-N

ID: 119160

SMILES:
O1c2cc(C)cc(O)c2C2C3C1(C(=O)O3)CC=C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.273

CB1 binding score: -14.647

InChIKey:
YOLKFVLIYQOCID-UHFFFAOYSA-N

ID: 119161

SMILES:
C1(=C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.752

InChIKey:
JYJPXDDUJQGEJO-UHFFFAOYSA-N

ID: 119162

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 119163

SMILES:
C1(C)(C)Oc2c(OC)cc(O)cc2C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.662

InChIKey:
MTJFYDONBDGRHM-UHFFFAOYSA-N

ID: 119164

SMILES:
c12c(O)cc(OC)cc1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.987

InChIKey:
WEJIEIZJRLUNOB-UHFFFAOYSA-N

ID: 119165

SMILES:
C1(C)(C)C2C(C=C(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 119166

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(OC(=O)C)(C)C=C1)C(CC(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -16.363

InChIKey:
NRPCCBQTSXEECD-UHFFFAOYSA-N

ID: 119167

SMILES:
C(C=C)c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.893

InChIKey:
UHLNWRJAUNMUTI-UHFFFAOYSA-N

ID: 119168

SMILES:
O(CC1=CCC(c2c(O)cc(CCCO)cc2)CC1)C1=C(C)CCCC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.042

InChIKey:
OQCRYHPALRDEDB-UHFFFAOYSA-N

ID: 119169

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(C)(C)C=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -16.527

InChIKey:
RGGLNVDPLYPNQP-UHFFFAOYSA-N

ID: 119170

SMILES:
C12(C)C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)(O)C21CC(=O)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.068

InChIKey:
LXYNVLZRCLQTLF-UHFFFAOYSA-N

ID: 119171

SMILES:
C(Cc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)CCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.99

InChIKey:
ZVDJEEGIEGSSOE-UHFFFAOYSA-N

ID: 119172

SMILES:
C12C3C(COC(=O)C)(C(C(C)C)CC3)C(OC(=O)C)CC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.649

CB1 binding score: Not available

InChIKey:
DKRNQUVZQLJIKO-UHFFFAOYSA-N

ID: 119173

SMILES:
C1(C(=O)O)CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.745

InChIKey:
VRZWHTKBFZGYJJ-UHFFFAOYSA-N

ID: 119174

SMILES:
CC1(C)Oc2cc(C)cc(O)c2C=CC(C)=CCC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.096

InChIKey:
AUIKCYMVJJCZBZ-UHFFFAOYSA-N

ID: 119175

SMILES:
C12(C)CC3=C(c4c(O)cc(CCCCC)cc4OC3C(C)(C)O1)C(=O)CC(C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.196

InChIKey:
KVLVQUMKIUTJDN-UHFFFAOYSA-N

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119155–119175 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