IngredientID 15749

Gamma-oryzanol

C40H58O4

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 4Ingredient: 1Reference: 1Target: 4Links: 9

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 15749
Core Entity Id: 20675
Source Entity Count: 1
Preferred Name: Gamma-oryzanol
Name En
Pubchem Id: 134695320
Smiles Canonical: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
Molecular Formula: C40H58O4
Molecular Weight: 602.9000
Inchikey: FODTZLFLDFKIQH-FSVGXZBPSA-N
Inchi: InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
Isomeric Smiles: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
Cas Id
Ob Score
Mol Logp: 10.1474
Num H Donors: 1
Num H Acceptors: 4
Num Rotatable Bonds: 8
Drug Likeness: 0.1830
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Cycloartenol ferulate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Cycloartenol ferulate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Cycloartenyl ferulate

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Cycloartenyl ferulate

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Cycloartenyl ferulate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Cycloartenyl ferulate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Gamma-oryzanol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Gamma-oryzanol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

cycloartenol ferulate

Role

preferred

Source

TCMBank

Preferred

Yes

Name

米皮糠

Role

TCM_name

Source

TCMBank

Preferred

Name

MI PI KANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Rice Spermoderm

Role

TCM_name_en

Source

TCMBank

Preferred

Name

11042-64-1

Role

alias

Source

HERB_v2

Preferred

Name

11042-64-1

Role

alias

Source

itcmdb_public

Preferred

Name

21238-33-5

Role

alias

Source

itcmdb_public

Preferred

Name

21238-33-5

Role

alias

Source

HERB_v2

Preferred

Name

Cycloartenyl ferulate

Role

alias

Source

HERB_v2

Preferred

Name

Cycloartenyl ferulate

Role

alias

Source

itcmdb_public

Preferred

Name

Gamma oryzanol [JAN]

Role

alias

Source

HERB_v2

Preferred

Name

Gamma oryzanol [JAN]

Role

alias

Source

itcmdb_public

Preferred

Name

Gammariza

Role

alias

Source

itcmdb_public

Preferred

Name

Gammariza

Role

alias

Source

HERB_v2

Preferred

Name

HI-Z

Role

alias

Source

HERB_v2

Preferred

Name

HI-Z

Role

alias

Source

itcmdb_public

Preferred

Name

Oliver

Role

alias

Source

HERB_v2

Preferred

Name

Oliver

Role

alias

Source

itcmdb_public

Preferred

Name

cycloartenol ferulate

Role

alias

Source

TCMBank

Preferred

Name

gamma Oryzanol

Role

alias

Source

itcmdb_public

Preferred

Name

gamma-Orizanol

Role

alias

Source

HERB_v2

Preferred

Name

gamma-Orizanol

Role

alias

Source

itcmdb_public

Preferred

Name

gamma-Oryzanol

Role

alias

Source

HERB_v2

Preferred

Name

Oryzanol a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

oryzanol a

Role

preferred

Source

TCMBank

Preferred

Yes

Name

7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:176202

Role

alias

Source

itcmdb_public

Preferred

Name

Cycloartenol ferulic acid ester

Role

alias

Source

HERB_v2

Preferred

Name

FODTZLFLDFKIQH-GHRIWEEISA-N

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL12152368

Role

alias

Source

itcmdb_public

Preferred

Name

[(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-Tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Role

alias

Source

HERB_v2

Preferred

Name

[7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

Cycloartenol ferulateCycloartenyl ferulate米皮糠MI PI KANGRice Spermoderm11042-64-121238-33-5Gamma oryzanol [JAN]GammarizaHI-ZOlivergamma Oryzanolgamma-OrizanolOryzanol a7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateCHEBI:176202Cycloartenol ferulic acid esterFODTZLFLDFKIQH-GHRIWEEISA-NSCHEMBL12152368[(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-Tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate[7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN022147HBIN022150HBIN049157HBIN038367

Npass

NPC96930

Tcmid

396634474

Tcm Id

1274612747127481274912750127511871

Pub Chem

13469532052821641231377812313779

Tcmbank

TCMBANKIN010463TCMBANKIN018480TCMBANKIN055565TCMBANKIN019747

Etcm Ingredient

Cycloartenyl ferulate

Itcmdb Generated

ITX-INGREDIENT-4316B1FFBDA9ITX-INGREDIENT-6B598B86AEAC

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1

Mol Wt

602.9000000000003

Smiles

CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C[C@@]1([H])(OC(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])C([H])([H])C([H])([H])[C@]3([C@](C3([H])[H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C( [H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])(C([H])([H])[H])[C@@]45C([H])([H])[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6([H])C1(C([H])([H])[H])C([H])([H])[H]

Mol Log P

10.14739999999999

In Ch Ikey

FODTZLFLDFKIQH-FSVGXZBPSA-N

Tcm Name

米皮糠

Tcm Name2

MI PI KANG

Mol2 Path

/TCM_database/2003_3d_all/1818.mol2

Reference

Num Hdonors

Tcm Name En

Rice Spermoderm

Drug Likeness

0.183

Num Hacceptors

Isomeric Smiles

C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C

Canonical Smiles

CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C

Herb Alias Names

gamma-OryzanolCycloartenyl ferulategamma Oryzanol11042-64-1GammarizaOlivergamma-OrizanolHI-ZGamma oryzanol [JAN]21238-33-5

Molecular Weight

602.430

Molecular Weight

602.9 g/mol

Molecular Formula

C40H58O4

Molecular Formula

C40H58O4

Molecular Formula

C40H58O4

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.880

Quantitative Estimate Of Drug Likeness（Qed）

0.183