Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38981
- Core Entity Id
- 69454
- Source Entity Count
- 1
- Preferred Name
- (16r)-ent-kauran-15-one
- Name En
- Pubchem Id
- 101320319
- Smiles Canonical
- CC1C2CCC3C4(CCCC(C4CCC3(C2)C1=O)(C)C)C
- Molecular Formula
- C20H32O
- Molecular Weight
- 288.4750
- Inchikey
- WLPSBNSWPFRIPG-YSBNHYEQSA-N
- Inchi
- InChI=1S/C20H32O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16-,19+,20+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]2CC[C@@H]3[C@]4(CCCC([C@@H]4CC[C@@]3(C2)C1=O)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2343
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(16R)-ent-Kauran-15-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(16R)-ent-Kauran-15-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(16r)-ent-kauran-15-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(16r)-ent-kauran-15-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
截形叶苔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIE XING YE TAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Q63395614
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q63395614
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
截形叶苔JIE XING YE TAIQ63395614
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001959
Tcmid
12170
Pub Chem
101320319
Tcmbank
TCMBANKIN039457
Etcm Ingredient
(16R)-ent-Kauran-15-one
Itcmdb Generated
ITX-INGREDIENT-C606CA923120
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16-,19+,20+/m1/s1
Mol Wt
288.475
Mol Log P
5.234300000000006
In Ch Ikey
WLPSBNSWPFRIPG-YSBNHYEQSA-N
Tcm Name
截形叶苔
Tcm Name2
JIE XING YE TAI
Mol2 Path
/TCM_database/2007_3d_all/12174.mol2
Reference
4201
Num Hdonors
0
Drug Likeness
0.596
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1[C@H]2CC[C@@H]3[C@]4(CCCC([C@@H]4CC[C@@]3(C2)C1=O)(C)C)C
Canonical Smiles
CC1C2CCC3C4(CCCC(C4CCC3(C2)C1=O)(C)C)C
Herb Alias Names
Q63395614
Molecular Weight
288.250
Molecular Weight
288.5 g/mol
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.417
Quantitative Estimate Of Drug Likeness（Qed）
0.596