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
- 6114
- Core Entity Id
- 9979
- Source Entity Count
- 1
- Preferred Name
- 4′-hydroxyphyllaemblicin b
- Name En
- Pubchem Id
- 45271324
- Smiles Canonical
- CC1COC2(CC1OC(=O)C3=CC=C(C=C3)O)C(=O)C4(C(CC(CC4O2)C(=O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
- Molecular Formula
- C33H44O20
- Molecular Weight
- 760.7700
- Inchikey
- MXGZXGGMUXNJQR-ICLALRSMSA-N
- Inchi
- InChI=1S/C33H44O20/c1-12-11-47-32(8-16(12)48-27(43)13-2-4-15(36)5-3-13)31(45)33(46)19(37)6-14(7-20(33)53-32)28(44)52-30-26(24(41)22(39)18(10-35)50-30)51-29-25(42)23(40)21(38)17(9-34)49-29/h2-5,12,14,16-26,29-30,34-42,46H,6-11H2,1H3/t12-,14+,16+,17-,18-,19-,20-,21-,22-,23+,24+,25-,26-,29+,30+,32+,33-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 4.4240
- Mol Logp
- -3.0000
- Num H Donors
- 10
- Num H Acceptors
- 20
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 318.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4′-Hydroxyphyllaemblicin B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4′-Hydroxyphyllaemblicin B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4′-hydroxyphyllaemblicin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4′-hydroxyphyllaemblicin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4′-hydroxyphyllaemblicin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4′-hydroxyphyllaemblicin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010569
Tcmsp
MOL006782
Sym Map
SMIT08347
Tcmbank
TCMBANKIN014514
Etcm Ingredient
4′-hydroxyphyllaemblicin B
Itcmdb Generated
ITX-INGREDIENT-1741888B1F51
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
4.4244.4242229074.424223
Suppress
0
Molecule Weight
760.77
Molecular Weight
760.240
Molecular Weight
760.77
Molecular Formula
C33H44O20
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.111