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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32621
- Core Entity Id
- 39449
- Source Entity Count
- 1
- Preferred Name
- Sarcovaging d
- Name En
- Pubchem Id
- 10365989
- Smiles Canonical
- C1([H])=C(N(C(=O)\C(\C([H])([H])[H])=C(\C([H])([H])[H])[H])[H])C(=O)[C@@]2([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(N(C([H])([H])[H])C([H])( [H])[H])C([H])([H])[H])C([H])([H])C3([H])[H])[C@]34[H])[C@@]4([H])C([H])([H])C2([H])[H])C1([H])[H]
- Molecular Formula
- C28H44N2O2
- Molecular Weight
- 440.6720
- Inchikey
- VWQAUBJBEMSAFZ-RKADASEPSA-N
- Inchi
- InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18?,19-,20+,21-,22-,23-,27+,28+/m0/s1
- Isomeric Smiles
- C/C=C(\C)/C(=O)NC1=CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1=O)CC[C@@H]4C(C)N(C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3506
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sarcovaging D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sarcovaging D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sarcovaging d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sarcovaging d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
海南野山花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI NAN YE SHAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hainan Sarcococca
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
sarcovaging d
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海南野山花HAI NAN YE SHAN HUAHainan Sarcococca
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043157
Npass
NPC142538
Tcmid
25332
Pub Chem
10365989
Tcmbank
TCMBANKIN031274TCMBANKIN059371
Etcm Ingredient
Sarcovaging D
Itcmdb Generated
ITX-INGREDIENT-7A6A280F8B3AITX-INGREDIENT-E708CE5A25CE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18?,19-,20+,21-,22-,23-,27+,28+/m0/s1
Mol Wt
440.6720000000002
Smiles
C1([H])=C(N(C(=O)\C(\C([H])([H])[H])=C(\C([H])([H])[H])[H])[H])C(=O)[C@@]2([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(N(C([H])([H])[H])C([H])(
[H])[H])C([H])([H])[H])C([H])([H])C3([H])[H])[C@]34[H])[C@@]4([H])C([H])([H])C2([H])[H])C1([H])[H]CC=C(C)C(=O)NC1=CCC2(C3CCC4(C(C3CCC2C1=O)CCC4C(C)N(C)C)C)C
Mol Log P
5.350600000000006
In Ch Ikey
VWQAUBJBEMSAFZ-RKADASEPSA-N
Tcm Name
海南野山花
Tcm Name2
HAI NAN YE SHAN HUA
Mol2 Path
/TCM_database/2003_3d_all/7524.mol2
Reference
399
Num Hdonors
1
Tcm Name En
Hainan Sarcococca
Drug Likeness
0.6
Num Hacceptors
3
Isomeric Smiles
C/C=C(\C)/C(=O)NC1=CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1=O)CC[C@@H]4C(C)N(C)C)C)C
Canonical Smiles
CC=C(C)C(=O)NC1=CCC2(C3CCC4(C(C3CCC2C1=O)CCC4C(C)N(C)C)C)C
Molecular Weight
440.340
Molecular Weight
440.7 g/mol
Molecular Formula
C28H44N2O2
Molecular Formula
C28H44N2O2
Molecular Formula
C28H44N2O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.268
Quantitative Estimate Of Drug Likeness（Qed）
0.528