Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16139
- Core Entity Id
- 21108
- Source Entity Count
- 1
- Preferred Name
- Dammara-24-ene-3beta,20-diol
- Name En
- Pubchem Id
- 441675
- Smiles Canonical
- CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
- Molecular Formula
- C30H52O2
- Molecular Weight
- 444.4000
- Inchikey
- NLHQJXWYMZLQJY-AYHBXSNGSA-N
- Inchi
- InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.5000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dammara-24-Ene-3Beta,20-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dammara-24-Ene-3Beta,20-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dammara-24-ene-3beta,20-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dammara-24-ene-3beta,20-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dammara-24-ene-3beta,20-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dammara-24-ene-3beta,20-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
芒果树皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MANG GUO SHU PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mango Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
芒果树皮MANG GUO SHU PIMango Bark
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022618
Tcmid
26049
Sym Map
SMIT19015
Tcmbank
TCMBANKIN045389
Etcm Ingredient
Dammara-24-ene-3beta,20-diol
Itcmdb Generated
ITX-INGREDIENT-D17F9AC5249F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
[C@@]1([H])(O[H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])
O[H])C([H])([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@]4([H])C1(C([H])([H])[H])C([H])([H])[H]
Version
v1,v2
Suppress
0
Tcm Name
芒果树皮
Tcm Name2
MANG GUO SHU PI
Mol2 Path
/TCM_database/2003_3d_all/1894.mol2
Reference
6
Tcm Name En
Mango Bark
Molecular Weight
444.400
Molecular Formula
C30H52O2
Molecular Formula
C30H52O2
Fda Maximum Daily Dose (Fdamdd)
0.845
Quantitative Estimate Of Drug Likeness（Qed）
0.440