ITCMDBv1
IngredientID 28777

Ovatodiolide

C20H24O4

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Relationship Network

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

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Herb: 1Ingredient: 1Reference: 3Target: 10Links: 14
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28777
Core Entity Id
35173
Source Entity Count
1
Preferred Name
Ovatodiolide
Name En
Pubchem Id
101821136
Smiles Canonical
CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=O
Molecular Formula
C20H24O4
Molecular Weight
328.4080
Inchikey
KTYZKXFERQUCPX-SIKGVNBJSA-N
Inchi
InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1
Isomeric Smiles
C/C/1=C\CCC2=C[C@H](C/C(=C/[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)/C)OC2=O
Cas Id
Ob Score
Mol Logp
3.7927
Num H Donors
0
Num H Acceptors
4
Num Rotatable Bonds
0
Drug Likeness
0.3860
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Ovatodiolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ovatodiolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ovatodiolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
广防风
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG FANG FENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Epimeredi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3AS,6E,13S,15E,16AR)-3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3AS,6E,13S,15E,16AR)-3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3484-37-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3484-37-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
641ILF0QGZ
Role
alias
Source
HERB_v2
Preferred
No
Name
641ILF0QGZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
AR-100 (OV)
Role
alias
Source
itcmdb_public
Preferred
No
Name
AR-100 (OV)
Role
alias
Source
HERB_v2
Preferred
No
Name
AR100
Role
alias
Source
HERB_v2
Preferred
No
Name
AR100
Role
alias
Source
itcmdb_public
Preferred
No
Name
AR100DP1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ar-100dp1
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-156130
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-156130
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-272353
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-272353
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

广防风GUANG FANG FENGIndian Epimeredi(3AS,6E,13S,15E,16AR)-3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE3484-37-5641ILF0QGZAR-100 (OV)AR100AR100DP1Ar-100dp1NSC-156130NSC-272353

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN038417
Tcmid
16269
Pub Chem
10182113638347030
Tcmbank
TCMBANKIN036906

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1
Mol Wt
328.4080000000001
Mol Log P
3.792700000000003
In Ch Ikey
KTYZKXFERQUCPX-SIKGVNBJSA-N
Tcm Name
广防风
Tcm Name2
GUANG FANG FENG
Mol2 Path
/TCM_database/2007_3d_all/16280.mol2
Reference
2899, 2866, 2900
Num Hdonors
0
Tcm Name En
Indian Epimeredi
Drug Likeness
0.386
Num Hacceptors
4
Isomeric Smiles
C/C/1=C\CCC2=C[C@H](C/C(=C/[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)/C)OC2=O
Canonical Smiles
CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=O
Herb Alias Names
Ar-100dp1AR100DP1AR-100 (OV)NSC-156130NSC-2723533484-37-5AR100641ILF0QGZ(3AS,6E,13S,15E,16AR)-3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE
Molecular Weight
328.4 g/mol
Molecular Formula
C20H24O4
Num Rotatable Bonds
0