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Molecule Identifiers
Molecular Properties

ID: 131062

SMILES:
c1(C(C)(C)C(C)C)cc(O)c(OC)c2c1OC(C)(C)c1c-2cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.078

InChIKey:
CJGBEEANAHIZHD-UHFFFAOYSA-N

ID: 131063

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 131064

SMILES:
c12c3c(cc(C(C)C(C(C)=CC)=O)c1)OC(C)(C)C1C3C(=O)C2C1(O)CC(C)(C=C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -12.964

InChIKey:
PDBKLSQNTVHPMY-UHFFFAOYSA-N

ID: 131065

SMILES:
Oc1c(C=O)c(OC)cc(OC)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.98

InChIKey:
XCTLQEIDVDPMNN-UHFFFAOYSA-N

ID: 131066

SMILES:
O(Cc1c(NCC=C(CCCC(C)(O)C)C)ccc(C2C=C(C)CCC2C(C)=C)c1O)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 483.737

CB1 binding score: -16.078

InChIKey:
ZEZSNXRZRGWEJN-UHFFFAOYSA-N

ID: 131067

SMILES:
C1C(C)=CC(c2c(O)cc(-c3ccc(O)cc3CC=C(C)C)c(O)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.55

CB1 binding score: -16.216

InChIKey:
NDSBMZGHLGQLPW-UHFFFAOYSA-N

ID: 131068

SMILES:
C1(C(CCC=C(C)C)C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.733

InChIKey:
GDJHOFOXIAXVST-UHFFFAOYSA-N

ID: 131069

SMILES:
C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)CC(CO)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 131070

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(O)C(C)C1)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.254

InChIKey:
ZORUKECJKBFGGT-UHFFFAOYSA-N

ID: 131071

SMILES:
c12c(O)c(OC)c(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.277

InChIKey:
WJABVLUXMBMMIO-UHFFFAOYSA-N

ID: 131072

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCCCC)c2)C1C(O)(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.591

InChIKey:
QPTVTJCMQJKJEN-UHFFFAOYSA-N

ID: 131073

SMILES:
C1Oc2c(c(OC)cc(CCCCC)c2)C2C3C(C(OC(C)=O)CC3C)C=C(C)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.674

InChIKey:
VYWQQEDLWKSYTD-UHFFFAOYSA-N

ID: 131074

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCc3ccc(O)cc3)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -16.83

InChIKey:
PBEGVXRRRZSVOL-UHFFFAOYSA-N

ID: 131075

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 131076

SMILES:
CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -20.991

InChIKey:
VUUOQMIMZAXLBK-UHFFFAOYSA-N

ID: 131077

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 131078

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131079

SMILES:
C1(C)(CO)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -15.929

InChIKey:
YKFGETXSGKCACU-UHFFFAOYSA-N

ID: 131080

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 131081

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(CC=C(C)C)OC1(C)CC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -14.762

InChIKey:
UGFFHUQRVMKZNO-UHFFFAOYSA-N

ID: 131082

SMILES:
C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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131062–131082 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