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
- 29674
- Core Entity Id
- 36167
- Source Entity Count
- 1
- Preferred Name
- Phlegmanol d
- Name En
- Pubchem Id
- 101316829
- Smiles Canonical
- CC(=O)OC1CCC2(C3CCC4C5(CCC(=O)C(C5CCC4(CC3(CCC2C1(C)C)C)O)(C)C)C)C
- Molecular Formula
- C32H52O4
- Molecular Weight
- 500.7640
- Inchikey
- JRSFFUNLXARFPT-KZMUVVLGSA-N
- Inchi
- InChI=1S/C32H52O4/c1-20(33)36-26-14-17-30(7)22(28(26,4)5)11-15-29(6)19-32(35)18-12-21-27(2,3)25(34)13-16-31(21,8)24(32)10-9-23(29)30/h21-24,26,35H,9-19H2,1-8H3/t21-,22-,23-,24+,26-,29-,30-,31-,32-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4(C[C@@]3(CC[C@H]2C1(C)C)C)O)(C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.1135
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phlegmanol D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phlegmanol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phlegmanol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
马尾杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA WEI SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Slender Phlegmariurus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
马尾杉MA WEI SHANSlender Phlegmariurus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039551
Npass
NPC53880
Tcmid
17136
Pub Chem
101316829
Tcmbank
TCMBANKIN047259
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H52O4/c1-20(33)36-26-14-17-30(7)22(28(26,4)5)11-15-29(6)19-32(35)18-12-21-27(2,3)25(34)13-16-31(21,8)24(32)10-9-23(29)30/h21-24,26,35H,9-19H2,1-8H3/t21-,22-,23-,24+,26-,29-,30-,31-,32-/m0/s1
Mol Wt
500.7640000000004
Mol Log P
7.11350000000001
In Ch Ikey
JRSFFUNLXARFPT-KZMUVVLGSA-N
Tcm Name
马尾杉
Tcm Name2
MA WEI SHAN
Mol2 Path
/TCM_database/2007_3d_all/17150.mol2
Reference
2987
Num Hdonors
1
Tcm Name En
Slender Phlegmariurus
Drug Likeness
0.39
Num Hacceptors
4
Isomeric Smiles
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4(C[C@@]3(CC[C@H]2C1(C)C)C)O)(C)C)C)C
Canonical Smiles
CC(=O)OC1CCC2(C3CCC4C5(CCC(=O)C(C5CCC4(CC3(CCC2C1(C)C)C)O)(C)C)C)C
Molecular Weight
500.8 g/mol
Molecular Formula
C32H52O4
Num Rotatable Bonds
1