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
- 10854
- Core Entity Id
- 15227
- Source Entity Count
- 1
- Preferred Name
- Anhydrocinnzeylanone
- Name En
- Pubchem Id
- 637209
- Smiles Canonical
- CC1CCC2(C3(CC(=O)OC2(C1=O)C4(C3(CC(=C4C)C(C)C)O)O)C)O
- Molecular Formula
- C20H28O6
- Molecular Weight
- 364.4380
- Inchikey
- UKRWFVKYGNPCSU-YYJBFAQLSA-N
- Inchi
- InChI=1S/C20H28O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,23-25H,6-9H2,1-5H3/t11-,16-,17-,18+,19+,20+/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@@]2([C@@]3(CC(=O)O[C@@]2(C1=O)[C@@]4([C@]3(CC(=C4C)C(C)C)O)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2605
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anhydrocinnzeylanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anhydrocinnzeylanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anhydrocinnzeylanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
印度鳄梨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN DU E LI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Avocado*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
印度鳄梨YIN DU E LIIndian Avocado*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016158
Tcmid
1265
Pub Chem
637209
Tcmbank
TCMBANKIN043155
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,23-25H,6-9H2,1-5H3/t11-,16-,17-,18+,19+,20+/m0/s1
Mol Wt
364.438
Mol Log P
1.2605
In Ch Ikey
UKRWFVKYGNPCSU-YYJBFAQLSA-N
Tcm Name
印度鳄梨
Tcm Name2
YIN DU E LI
Mol2 Path
/TCM_database/2007_3d_all/01265.mol2
Reference
5128
Num Hdonors
3
Tcm Name En
Indian Avocado*
Drug Likeness
0.478
Num Hacceptors
6
Isomeric Smiles
C[C@H]1CC[C@@]2([C@@]3(CC(=O)O[C@@]2(C1=O)[C@@]4([C@]3(CC(=C4C)C(C)C)O)O)C)O
Canonical Smiles
CC1CCC2(C3(CC(=O)OC2(C1=O)C4(C3(CC(=C4C)C(C)C)O)O)C)O
Molecular Weight
364.4 g/mol
Molecular Formula
C20H28O6
Num Rotatable Bonds
1