Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41758
- Core Entity Id
- 84769
- Source Entity Count
- 1
- Preferred Name
- curcumrinol B
- Name En
- Pubchem Id
- 162887633
- Smiles Canonical
- C=C[C@@]1(C)CCC2=C([C@H]1O)[C@H](O)[C@@H](O)[C@@H]1C(C)(C)CCC[C@]21C
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.0000
- Inchikey
- QVQRRSWZZSIFII-NDOCZDNFSA-N
- Inchi
- InChI=1S/C20H32O3/c1-6-19(4)11-8-12-13(17(19)23)14(21)15(22)16-18(2,3)9-7-10-20(12,16)5/h6,14-17,21-23H,1,7-11H2,2-5H3/t14-,15+,16+,17+,19-,20+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 61.0000
- Molecular Volume
- 242.0000
- Alogp
- 3.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
curcumrinol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
curcumrinol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
莪朮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
温郁金Curcuma wenyujin
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Curcuma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.破血消症药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-breaking mass-eliminating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
莪朮温郁金Curcuma wenyujinCurcuma8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal4.破血消症药(6-6)blood-breaking mass-eliminating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN005607
Etcm Ingredient
curcumrinol B
Itcmdb Generated
ITX-INGREDIENT-013F22B7FF96ITX-INGREDIENT-E38C1E75630B
Attributes
Merged source attributes and domain-specific metadata.
Alog P
3
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C([H])([H])C([H])([H])[C@@](C([H])=C([H])[H])(C([H])([H])[H])[C@@]2(O[H])[H])=C2[C@@](O[H])([H])[C@@]3([H])O[H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H])[H
])C1([H])[H]
37 Flag
37
C Count
20
N Count
0
O Count
3
P Count
0
S Count
0
Tcm Name
莪朮
Tcm Name2
温郁金Curcuma wenyujin
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/4.破血消症药(6-6)/莪朮/温郁金Curcuma wenyujin/Structure/curcumrinol B.mol2
Tcm Name En
Curcuma
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
4.破血消症药(6-6)
Num H Donors
3
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-breaking mass-eliminating medicinal
Num H Acceptors
3
Molecular Weight
320.240
Molecular Volume
242
Molecular Weight
320
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
1
Molecular Polar Surface Area
61
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.650